Basic information
- CAS
54977-92-3- Standard SMILES
Nc1ccc(C(=O)NCc2ccccc2)cc1- InChIKey
ZWMQLNXGNSNUEO-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 4-amino-N-benzylbenzamide
- IUPAC
- 4-amino-N-benzylbenzamide
- English name
- 4-Amino-N-benzylbenzamide
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
4-Amino-N-benzylbenzamide54977-92-3DTXSID70342025RefChem:518134DTXCID30293105862-004-6benzamide, 4-amino-n-(phenylmethyl)-MFCD00440145Benzamide, 4-amino-N-benzyl-Benzamide, 4-amino-N-phenylmethyl-(4-aminophenyl)-N-benzylcarboxamideN-benzyl p-aminobenzamide
Show more names
UKRORGSYN-BB BBV-0538024-amino-N-(phenylmethyl)benzamide4-amino-N-benzylbenzamide(SALTDATA: FREE)
4-Amino-N-benzyl-benzamideOprea1_4185584-Amino-N-benzylbenzamide #MLS000679762CHEMBL164405SCHEMBL6737728SCHEMBL7473077OTAVA-BB 1133688
Database identifiers
- CAS
54977-92-3- PubChem CID
- 577832
- DTXSID
DTXSID70342025- ChEMBL
CHEMBL164405- EC Number
- 862-004-6
- Nikkaji
- J1.310.820J
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
- 241
Experimental & physicochemical properties
Solubility>33.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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, 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 statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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