3-amino-N-benzylbenzamide
Basic information
- CAS
54977-91-2- Standard SMILES
Nc1cccc(C(=O)NCc2ccccc2)c1- InChIKey
JJLMPFXNGNFLNI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 3-amino-N-benzylbenzamide
- IUPAC
- 3-amino-N-benzylbenzamide
- English name
- 3-Amino-N-benzyl-benzamide
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
3-amino-N-benzylbenzamide54977-91-2DTXSID40400762RefChem:276616DTXCID30351618824-949-23-amino-n-benzyl-benzamideMFCD00523631(3-aminophenyl)-N-benzylcarboxamideOprea1_0738413-amino-n~1~-benzylbenzamideN-phenylmethyl-3-aminobenzamide
Show more names
AKOS B022803ART-CHEM-BB B0228033-amino-N-(phenylmethyl)benzamideBenzamide, 3-amino-N-(phenylmethyl)-
SCHEMBL5847828SCHEMBL8395188SCHEMBL14862482JJLMPFXNGNFLNI-UHFFFAOYSA-NALBB-001512BBL011988SBB022625STK347149
Database identifiers
- CAS
54977-91-2- PubChem CID
- 4199838
- DTXSID
DTXSID40400762- EC Number
- 824-949-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 459.7 · 459.7±38.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 15.05 · 15.05±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…