N-[(4-aminophenyl)methyl]acetamide
Basic information
- CAS
99362-10-4- Standard SMILES
CC(=O)NCc1ccc(N)cc1- InChIKey
QYQYMVAVTKTFEK-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- N-[(4-aminophenyl)methyl]acetamide
- IUPAC
- N-[(4-aminophenyl)methyl]acetamide
- English name
- N-(4-AMINO-BENZYL)-ACETAMIDE
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
N-[(4-aminophenyl)methyl]acetamide99362-10-4N-((4-aminophenyl)methyl)acetamideRefChem:823031818-302-3n-(4-aminobenzyl)acetamideMFCD001956134-(acetylaminomethyl)anilineN-(4-amino-benzyl)-acetamideSCHEMBL1800569QYQYMVAVTKTFEK-UHFFFAOYSA-NNSC21079
Show more names
N-(p-aminobenzyl)acetamideN-2-(4-AMINOPHENYL)ETHYL ACETAMIDEAcetamide, N-[(4-aminophenyl)methyl]-
ZDA36210NSC-21079NSC216076AKOS009228429AT33808NSC-216076CS-0260936ST45273064
Database identifiers
- CAS
99362-10-4- PubChem CID
- 228286
- EC Number
- 818-302-3
- Nikkaji
- J1.261.639B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 414.8 · 414.8±28.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 16.19 · 16.19±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315-H312-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315-H312-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
4 records
Compound notes
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