Basic information
- CAS
934388-45-1- Standard SMILES
COC(=O)c1ccc(C(C)N)cc1.Cl- InChIKey
XOTRLVYRAWIVLC-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Names & identifiers
- Preferred name
- 4-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride
- IUPAC
- methyl 4-(1-aminoethyl)benzoate;hydrochloride
- English name
- 4-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.68
Names & synonyms
934388-45-14-(1-Amino-ethyl)-benzoic acid methyl ester hydrochlorideRefChem:510261809-534-6Methyl 4-(1-aminoethyl)benzoate hydrochlorideMFCD11505985Methyl 4-(1-aminoethyl)benzoate HClmethyl 4-(1-aminoethyl)benzoate;hydrochloride(S)-4-(1-Aminoethyl)-benzoic acid methyl ester hydrochlorideSCHEMBL871925(S)-4-(1-Amino-ethyl)-benzoic acid methyl ester hydrochlorideSB30640
Show more names
SB38990SB40060DB-262530Methyl4-(1-aminoethyl)benzoatehydrochlorideCS-0321730Y12286
Database identifiers
- CAS
934388-45-1- PubChem CID
- 20134239
- EC Number
- 809-534-6
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海智乾生物科技有限公司[email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
1 records
Compound notes
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