Benzenemethanamine, N-ethyl-4-methoxy-

HCID 296018

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Basic information

CAS: 22993-76-6
Standard SMILES: CCNCc1ccc(OC)cc1
InChIKey: SYGACMXWLAQEPN-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: Benzenemethanamine, N-ethyl-4-methoxy-
IUPAC: N-[(4-methoxyphenyl)methyl]ethanamine
English name: N-Ethyl-4-methoxybenzylamine
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

22993-76-6n-(4-methoxybenzyl)ethanamineN-Ethyl-4-methoxybenzylamineBenzenemethanamine, N-ethyl-4-methoxy-N-ETHYL-4-METHOXYBENZENEMETHANAMINEN-[(4-methoxyphenyl)methyl]ethanamineMFCD00026704Ethyl-(4-methoxy-benzyl)-amineethyl[(4-methoxyphenyl)methyl]amineN-ethyl-4-methoxy-benzenemethanamineNSC165789NSC 165789

Show more names

N-Ethyl-p-Methoxy-benzylaMine

N-ethyl-4-methoxybenzyl amineSCHEMBL2029638SCHEMBL8851617CHEMBL1178118SCHEMBL28143313DTXSID10177535n-ethyl-n-(4-methoxybenzyl)amineSYGACMXWLAQEPN-UHFFFAOYSA-N

Database identifiers

CAS: 22993-76-6
PubChem CID: 296018
DTXSID: DTXSID10177535
ChEMBL: CHEMBL1178118
Nikkaji: J1.110.292A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 180 · 180-180.5℃
Boiling point: 244 ℃ · 244℃
Density: 0.9903 g/cm3 · 0.9903 g/cm3 (20℃)
refractive index: 1.5195 · 1.5195 (589.3 nm 20℃)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Ether, Methanol
form: Oil
pka: 10.17 · 10.17±0.10(Predicted)
color: Light Brown
InChI: InChI=1S/C10H15NO/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChIKey: SYGACMXWLAQEPN-UHFFFAOYSA-N
SMILES: C1(CNCC)=CC=C(OC)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2922290090 · 2922290090

Safety & regulation

Safety data

hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313