6453-58-3 (5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸,5-{Amino(imino)methylamino}-2-(benzoylamino)pentanoic Acid)

快速询单

结构式：

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸MOL文件

CAS号：

6453-58-3

中文名称：

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸

英文名称：

5-{Amino(imino)methylamino}-2-(benzoylamino)pentanoic Acid

分子式：

C₁₃H₁₈N₄O₃

分子量：

278.307022571564

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸(6453-58-3)名称与标识符

名称

中文别名：

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸;

英文别名：

5-[[Amino(imino)methyl]amino]-2-(benzoylamino)pentanoic acid;5-{[AMINO(IMINO)METHYL]AMINO}-2-(BENZOYLAMINO)PENTANOIC ACID;Arginine, N2-benzoyl-;Ac-Ala-NHMe;Acetyl-L-alanine methyl amide;Ac-L-Ala-NHMe;benzoyl-Arg;N-Acetylalanine methylamide;N-Acetylalanine N-methylamide;N-Acetyl-ala-N-methylamide;N-Acetylalanyl-N-methylamide;N-acetyl-L-alanine methylamide;N-acetyl-L-alanine-N'-methylamide;N-Acetyl-N'-methylalaninamide;N-acetyl-N'-methyl-L-alanylamide;FT-0629937;MS-21995;2-benzamido-5-(diaminomethylideneamino)pentanoic acid;NSC118519;Arginine,n2-benzoyl-,monohydrochloride(9ci);benzoyl-dl-arginine;SCHEMBL188589;L-Arginine, N2-benzoyl-;5-carbamimidamido-2-(phenylformamido)pentanoic acid;5-{[Amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid, 95% (Bz-DL-Arg-OH);AKOS016193979;6453-58-3;AKOS003000532;CS-0306110;5-[[AMINO(IMINO)METHYL]AMINO]-2-(BENZOYLAMINO)PENTANOICACID;CCG-245132;Benzoylarginine;N-?-Benzoyl-L-arginine;CHEMBL180240;EN300-717847;SY020319;FT-0619915;2-Benzamido-5-guanidinopentanoic acid;NSC-118519;

标识符

InChIKey：

RSYYQCDERUOEFI-UHFFFAOYSA-N

Inchi：

1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)

SMILES：

OC(C(CCC/N=C(\N)/N)NC(C1C=CC=CC=1)=O)=O

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸(6453-58-3)物化性质

实验特性

LogP : 1.71470
PSA : 128.30000

计算特性

精确分子量 : 278.13800
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 7
同位素质量 : 278.13789045g/mol
重原子数量 : 20
复杂度 : 361
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0
拓扑分子极性表面积 : 131Å²

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸(6453-58-3)安全信息

WGK Germany： 3
安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸(6453-58-3)上下游

DL-精氨酸

5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸(6453-58-3) MSDS

基础信息

Name:	5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid 97% Material Safety Data Sheet
Synonym:	N-alpha-Benzoyl-DL-arginin
CAS:	6453-58-3

Section 1 - Chemical Product ? MSDS Name:5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid 97% Material Safety Data Sheet
Synonym:N-alpha-Benzoyl-DL-arginin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6453-58-3	5-{[Amino(imino)methyl]amino}-2-(benzo	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6453-58-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 285 deg C(decom)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H18N4O3
Molecular Weight: 278

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 6453-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-{[Amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6453-58-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6453-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6453-58-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A