N-Benzoylbenzylamine

HCID 73878

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Basic information

CAS: 1485-70-7
Standard SMILES: O=C(NCc1ccccc1)c1ccccc1
InChIKey: LKQUCICFTHBFAL-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: N-Benzoylbenzylamine
IUPAC: N-benzylbenzamide
English name: N-BENZYLBENZAMIDE
Molecular formula: C14H13NO
Molecular weight: 211.26

Names & synonyms

N-Benzylbenzamide1485-70-7Benzamide, N-(phenylmethyl)-N-BenzoylbenzylamineN-(phenylmethyl)benzamideJMX9K7MD23EINECS 216-063-4NSC 31622NSC-31622AI3-00504BENZOIC ACID BENZYLAMIDELKQUCICFTHBFAL-UHFFFAOYSA-

Show more names

N-Benzylbenzamide 98%N-Benzylbenzamide 95+%N-Benzylbenzamide, 99+%N-Benzylbenzamide >=98%N-BenzylbenzaMide, 99% 5GRN-[2-(methoxycarbonylamino)phenyl]carbamic acid methyl ester

DTXSID50164000RefChem:829070DTXCID3086491216-063-4InChI=1/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)MFCD00003070Benzbenzylamidbenzoylbenzylamine

Database identifiers

CAS: 1485-70-7
PubChem CID: 73878
DTXSID: DTXSID50164000
ChEMBL: CHEMBL207313
UNII: JMX9K7MD23
EC Number: 216-063-4
Nikkaji: J80.127E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 215

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 104 · 104-106 °C (lit.)
Boiling point: 350.95 °C · 350.95°C (rough estimate)
Density: 1.0694 · 1.0694 (rough estimate)
refractive index: 1.578 · 1.5780 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in Acetone (25 mg/ml).
form: Fine Crystalline Powder
pka: 14.86 · 14.86±0.46(Predicted)
color: White
BRN: 2211315 · 2211315
InChI: InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey: LKQUCICFTHBFAL-UHFFFAOYSA-N
SMILES: C(NCC1=CC=CC=C1)(=O)C1=CC=CC=C1
CAS DataBase Reference: 1485 · 1485-70-7(CAS DataBase Reference)
FDA UNII: 9 K7MD23 · JMX9K7MD23
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationBenzamide, N-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

wgk: 3
hs_code: 29242990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

UsesA convenient precursor to α-substituted benzylamines and an indicator for the titration of butyllithium and other lithium bases. For references see Aldrichimica Acta .

General DescriptionN-Benzylbenzamide inhibits the activity of tyrosinase.