36393-56-3 (苯甲醇,α-[(1R)-1-氨基乙基],(aR)-rel-,Benzenemethanol, a-[(1R)-1-aminoethyl]-, (aR)-rel-)

CAS号:
36393-56-3
中文名称:
苯甲醇,α-[(1R)-1-氨基乙基],(aR)-rel-
英文名称:
Benzenemethanol, a-[(1R)-1-aminoethyl]-, (aR)-rel-
分子式:
C9H13NO
分子量:
151.205622434616

苯甲醇,α-[(1R)-1-氨基乙基],(aR)-rel-(36393-56-3)名称与标识符

名称

英文别名:
Benzenemethanol, a-[(1R)-1-aminoethyl]-, (aR)-rel-;rac-Norephedrine hydrochloride;(1R,2R)-2-amino-1-phenylpropan-1-ol;(R*,R*)-alpha-(1-Aminoethyl)benzyl alcohol;(R*,R*)-α-(1-aminoethyl)benzyl alcohol;Benzenemethanol, alpha-((1R)-1-aminoethyl)-, (alphaR)-rel-;Benzenemethanol, alpha-(1-aminoethyl)-, (R*,R*)-;l-Nor-psi-ephedrin;l-Nor-psi-ephedrin [German];l-Nor-psi-ephedrine;Minusine;Racemic norpseudoephedrine;threo-1-Phenyl-1-hydroxy-2-aminopropane;threo-2-Amino-1-hydroxy-1-phenylpropane;CATHINE, (+/-)-;Q423797;Cathine;(1S,2S)-2-amino-1-phenyl-1-propanol;D-Cathine;EINECS 253-014-6;Norpseudoephedrine, d-;(1S,2S)-2-amino-1-phenyl-propan-1-ol;D-(+)-Norpseudoephedrine;AKOS015891205;36393-56-3;BENZENEMETHANOL, .ALPHA.-(1-AMINOETHYL)-, (S-(R*,R*))-;Cathinum [INN-Latin];(1S,2S)-(+)-norpseudoephedrine;Cathina;E1L4ZW2F8O;Nor-psi-ephedrine;Exponcit;Cathine (INN);Cathina [INN-Spanish];Phenylpropanolamine d-threo-form;psi-Norephedrine;Pseudonorephedrine;DTXSID50889347;RC91100000;Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaS)-;D-Norpseudoephedrine (D-Cathine);Cathine [INN];C08300;CATHINE [MART.];dl-Nor-psi-ephedrine;Norpseudoephedrine;Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)-;NCGC00016416-01;(+)-Norpseudoephedrine;PHENYLPROPANOLAMINE D-THREO-FORM [MI];27A0HLC3HH;Norpseudoephedrine, (+-)-;BRN 2802895;UNII-E1L4ZW2F8O;Cathin;UNII-27A0HLC3HH;.OMEGA.-NOREPHEDRINE;2-Amino-1-phenyl-1-propanol, (+)- #;BDBM50405615;(+)-Norephedrin;Benzenemethanol, .alpha.-(1-aminoethyl)-, [S-(R*,R*)]-;BENZENEMETHANOL, .ALPHA.-((1S)-1-AMINOETHYL)-, (.ALPHA.S)-;EINECS 207-754-1;(+)-Pseudonorephedrine;NS00098693;J-500428;CAS-154-41-6;(1S,2S)-(+)-Norpseudoephedrine, >=98.0% (NT);D-(+)-Norephedrine;CHEBI:4109;CATHINE [WHO-DD];DB01486;D07627;Cathinum;4-13-00-01874 (Beilstein Handbook Reference);A823766;d-Norpseudoephedrin;Norpseudoephedrine, (+)-;NORPSEUDOEPHEDRINE [MI];THREO-2-AMINO-1-PHENYLPROPAN-1-OL;Constituent of Khat plant;d-Norpseudoephedrine;Katine;37577-28-9;CHEMBL1412041;DTXSID20889399;SCHEMBL34132;PDSP2_001337;d-Phenylpropanolamine;(1S,2S)-Pseudonorephedrine;DEA No. 1230;CATINA;PDSP1_001353;BENZENEMETHANOL, .ALPHA.-((1R)-1-AMINOETHYL)-, (.ALPHA.R)-REL-;AS-30504;(1S,2S)-2-amino-1-phenylpropan-1-ol;(+/-)-NORPSEUDOEPHEDRINE;492-39-7;NIOSH/RC9110000;492-39-7 (free base);Norpseudoephedrine (cathine);d-Nor-psi-ephedrine;

标识符

InChIKey:
DLNKOYKMWOXYQA-IONNQARKSA-N
Inchi:
1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1
SMILES:
O[C@@H](C1C=CC=CC=1)[C@H](C)N

苯甲醇,α-[(1R)-1-氨基乙基],(aR)-rel-(36393-56-3)物化性质

实验特性

  • PSA : 46.25

计算特性

  • 精确分子量 : 151.09979
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 151.099714038g/mol
  • 重原子数量 : 11
  • 复杂度 : 110
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 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) : 0.8
  • 拓扑分子极性表面积 : 46.2Ų