4-Benzyloxybenzylamine

HCID 4292845

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Basic information

CAS: 22171-15-9
Standard SMILES: NCc1ccc(OCc2ccccc2)cc1
InChIKey: JDOJFXVTTCGROH-UHFFFAOYSA-N
Molecular formula: C14H15NO
Average molar mass: 213.27 g/mol
Monoisotopic mass: 213.1153641

Overview

See also: (4-(Benzyloxy)phenyl))methanamine (annotation moved to).

Names & identifiers

Preferred name: 4-Benzyloxybenzylamine
IUPAC: (4-phenylmethoxyphenyl)methanamine
English name: 4-Benzyloxybenzylamine
Molecular formula: C14H15NO
Molecular weight: 213.27

Names & synonyms

4-BenzyloxybenzylamineDTXSID80401632RefChem:1070370DTXCID7035248722171-15-9(4-(benzyloxy)phenyl)methanamine(4-phenylmethoxyphenyl)methanamine1-[4-(benzyloxy)phenyl]methanamine[4-(benzyloxy)phenyl]methanamine4-Benzyloxy-benzylamineMFCD03410962CHEMBL146898

Show more names

Benzenemethanamine, 4-(phenylmethoxy)-(4-phenylmethoxyphenyl)methylammonium chloride

[4-(Benzyloxy)phenyl]methylamineF2158-0084[4-(phenylmethoxy)phenyl]methylamine4-(benzyloxy)benzylaminep-benzyloxybenzyl amineSCHEMBL119690(4-benzyloxyphenyl)methanamineSCHEMBL1352036

Database identifiers

CAS: 22171-15-9
PubChem CID: 4292845
DTXSID: DTXSID80401632
ChEMBL: CHEMBL146898

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 181

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: White to off-white Solid
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
RIDADR: 3259 · UN3259
HazardClass: 8 · 8
HS Code: 2922390090 · 2922390090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

ridadr: UN3259
hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 8
Hazard statements: H315-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313