Basic information
- CAS
59653-66-6- Standard SMILES
CC(C)C(N)c1nc2ccccc2[nH]1- InChIKey
JDPVJORLNSVLOK-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Names & identifiers
- Preferred name
- 1H-Benzimidazole-2-methanamine,alpha-(1-methylethyl)-,(S)-
- IUPAC
- 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine
- English name
- 1H-Benzimidazole-2-methanamine,alpha-(1-methylethyl)-(9CI)
- Molecular formula
- C11H15N3
- Molecular weight
- 189.26
Names & synonyms
59653-66-61H-Benzimidazole-2-methanamine,alpha-(1-methylethyl)-,(S)-(9CI)DTXSID30393790RefChem:237598DTXCID203446501H-Benzimidazole-2-methanamine,alpha-(1-methylethyl)-,(S)-60603-59-01-(1H-benzo[d]iMidazol-2-yl)-2-Methylpropan-1-aMine1-(1H-BENZOIMIDAZOL-2-YL)-2-METHYL-PROPYLAMINE1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine1-(1H-1,3-benzodiazol-2-yl)-2-methylpropan-1-amine1-benzimidazol-2-yl-2-methylpropylamine
Show more names
1H-Benzimidazole-2-methanamine, α-(1-methylethyl)-1H-Benzimidazole-2-methanamine,alpha-(1-methylethyl)-(9CI)
MFCD02128751(R)-(+)-2-(alpha-(i-propyl)methanamine)-1H-benzimidazoleOprea1_827438HMS1768L09SBB039043AKOS000200420AKOS016039032DA-04476
Database identifiers
- CAS
59653-66-6- PubChem CID
- 3575057
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 375.3 · 375.3±25.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.33(Predicted)
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司18455579438
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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