Basic information
- CAS
24301-86-8- Standard SMILES
CCC([NH3+])c1ccccc1.[Cl-]- InChIKey
GRVMJKAAXNELJW-UHFFFAOYSA-N- Molecular formula
- C9H14ClN
- Average molar mass
- 171.67 g/mol
- Monoisotopic mass
- 171.0814771
Overview
See also: 1-Phenylpropan-1-amine--hydrogen chloride (1/1) (preferred).
Names & identifiers
- Preferred name
- alpha-Ethylbenzylamine hydrochloride
- IUPAC
- 1-phenylpropylazanium chloride
- English name
- 1-phenyl-1-propanamine hydrochloride
- Molecular formula
- C9H14ClN
- Molecular weight
- 171.66716
Names & synonyms
alpha-Ethylbenzylamine hydrochloride(alpha-Ethylbenzyl)ammonium chloridePhenyl-1-amino-1-propane hydrochloride1-phenylpropylazanium;chloridePropane, 1-phenyl-1-amino-, hydrochlorideH 1672Benzenemethanamine, alpha-ethyl-, hydrochlorideBENZYLAMINE, alpha-ETHYL-, HYDROCHLORIDE1-Phenyl-1-propanamine hcl1-Phenylpropan-1-amine Hydrochloride1-phenyl-1-propanamine hydrochlorideBenzenemethanamine, α-ethyl-, hydrochloride (1:1)
Database identifiers
- CAS
24301-86-8- PubChem CID
- 32279
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- HazardClass
- IRRITANT
- Toxicity
- 164 mg/kg · LDLo scu-rat: 164 mg/kg JPETAB 71,62,41
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo scu-rat: 164 mg/kg JPETAB 71,62,41
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers7 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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