3703-79-5 ((Benzenemethanol, a-[(butylamino)methyl]-4-hydroxy-)

CAS号:
3703-79-5
英文名称:
Benzenemethanol, a-[(butylamino)methyl]-4-hydroxy-
分子式:
C12H19NO2
分子量:
209.2847635746

Benzenemethanol, a-[(butylamino)methyl]-4-hydroxy-(3703-79-5)名称与标识符

名称

中文别名:
巴美生;
英文别名:
Benzenemethanol, a-[(butylamino)methyl]-4-hydroxy-;1-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane;1-(p-Hydroxyphenyl)-2-butylaminoethanol;2-Butylamino-1-p-hydroxyphenylethanol;Bamethane;Benzenemethanol, α-[(butylamino)methyl]-4-hydroxy-;Benzyl alcohol, α-((butylamino)methyl)-p-hydroxy-;Butedrine;Butyl-nor-sympatol;Butylsympathol;N-Butylnorsynephrine;N-Dutylnorsympathol;α-((Butylamino)methyl)-4-hydroxybenzenemethanol;α-((Butylamino)methyl)-p-hydroxybenzyl alcohol;BAMETHAN [WHO-DD];SR-01000884002-1;Benzenemethanol, alpha-((butylamino)methyl)-4-hydroxy-;4-13-00-02661 (Beilstein Handbook Reference);(.+/-.)-Bamethane;Bamethan;DL-Bamethane;Bamethan [INN:BAN];DTXCID3026144;BRN 1107993;AKOS005535687;Bamethan;3703-79-5;Bamethan (INN);NCGC00160423-01;BAMETHAN [INN];BENZENEMETHANOL, .ALPHA.-((BUTYLAMINO)METHYL)-4-HYDROXY-;Bametano;Bamethanc;D07490;alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol;CHEMBL1987462;CAS-3703-79-5;NCGC00160423-02;4-[2-(Butylamino)-1-hydroxyethyl]phenol #;.alpha.-((Butylamino)methyl)-4-hydroxybenzenemethanol;BAMETHAN [MI];RDUHXGIIUDVSHR-UHFFFAOYSA-N;Benzyl alcohol, .alpha.-((butylamino)methyl)-p-hydroxy-;Bamethanum;Bametano [INN-Spanish];.alpha.-((Butylamino)methyl)-p-hydroxybenzyl alcohol;EINECS 223-043-9;BENZYL ALCOHOL, alpha-((BUTYLAMINO)METHYL)-p-HYDROXY-;Benzenemethanol, .alpha.-[(butylamino)methyl]-4-hydroxy-;Q4853482;.alpha.-[(Butylamino)methyl]-p-hydroxybenzyl, .alpha.-hydroxyl-;Y08ZFJ9TFK;NS00004178;DTXSID5046144;Bamethanum [INN-Latin];UNII-Y08ZFJ9TFK;4-[2-(Butylamino)-1-hydroxyethyl]phenol;Vasolat (TN);dl-Bamethane;SR-01000884002;SCHEMBL120958;alpha-((Butylamino)methyl)-4-hydroxybenzenemethanol;Tox21_111805;DB13206;bametan;alpha-((Butylamino)methyl)-p-hydroxybenzyl, alpha-hydroxyl-;4-(2-(butylamino)-1-hydroxyethyl)phenol;butylnorsynephrin;Bamethanum (INN-Latin);C04AA31;SBI-0653863.0001;Vasolat;STK664069;Emasex A;Butyl-Sympatol;CHEBI:37936;(+/-)-Bamethane;Bametano (INN-Spanish);N-butylnorsympathone;

标识符

MDL:
MFCD00661059
InChIKey:
RDUHXGIIUDVSHR-UHFFFAOYSA-N
Inchi:
1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
SMILES:
OC(C1C=CC(=CC=1)O)CNCCCC

Benzenemethanol, a-[(butylamino)methyl]-4-hydroxy-(3703-79-5)物化性质

实验特性

  • LogP : 2.20620
  • PSA : 52.49
  • 折射率 : 1.4596 (estimate)
  • 沸点 : 348.66°C (rough estimate)
  • 熔点 : 123.5-125°
  • 闪点 : 141.2°C
  • 密度 : 1.0423 (rough estimate)

计算特性

  • 精确分子量 : 209.14167
  • 氢键供体数量 : 3
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 209.141579
  • 重原子数量 : 15
  • 复杂度 : 156
  • 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) : 0.6
  • 拓扑分子极性表面积 : 52.5

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