Basic information
- CAS
20569-45-3- Standard SMILES
CCC(CN)c1ccccc1.Cl- InChIKey
YWUUAQSDHCZRNU-UHFFFAOYSA-N- Molecular formula
- C10H16ClN
- Average molar mass
- 185.69 g/mol
- Monoisotopic mass
- 185.0971272
Names & identifiers
- Preferred name
- Phenethylamine, beta-ethyl-, hydrochloride
- IUPAC
- 2-phenylbutan-1-amine;hydrochloride
- English name
- 2-Phenylbutan-1-aMine, HCl
- Molecular formula
- C10H16ClN
- Molecular weight
- 185.69374
Names & synonyms
20569-45-3Phenethylamine, beta-ethyl-, hydrochlorideRefChem:10947442-phenylbutan-1-amine hydrochloride2-Phenylbutan-1-amine, HCl2-phenylbutan-1-amine;hydrochlorideMFCD01708196Benzeneethanamine, beta-ethyl-, hydrochloride (1:1)beta-Ethylphenethylamine hydrochlorideUSAF EL-192-Phenyl-1-aminobutane hydrochlorideNSC 406073
Show more names
2-Phenylbutan-1-amine hydrochloride (1:1)beta-Ethylbenzeneethanamine hydrochlorideBenzeneethanamine, β-ethyl-, hydrochloride (1:1)
2-Phenylbutan-1-amine HClPhenethylamine, beta-ethyl-, monohydrochlorideBeta-ethylphenylethylamine hclSCHEMBL2346631NIOSH/SH6532000Phenethylamine, monohydrochloride2-phenylbutan-1-aminehydrochlorideNSC406073
Database identifiers
- CAS
20569-45-3- PubChem CID
- 209840
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Melting point
- 169 ℃ · 169℃ (ethanol ethyl ether )
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
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
- hs_code
- 2921490090
- Toxicity
- mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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