CAS 625437-31-2 N-((3-methoxyphenyl)methyl)cyclopropanamine (HCID 4721137)

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Basic information

CAS: 625437-31-2
Standard SMILES: COc1cccc(CNC2CC2)c1
InChIKey: NUPAMNLYORQZRV-UHFFFAOYSA-N
Molecular formula: C11H15NO
Average molar mass: 177.24 g/mol
Monoisotopic mass: 177.1153641

Names & identifiers

Preferred name: N-((3-methoxyphenyl)methyl)cyclopropanamine
IUPAC: N-[(3-methoxyphenyl)methyl]cyclopropanamine
English name: Benzenemethanamine, N-cyclopropyl-3-methoxy- (9CI)
Molecular formula: C11H15NO
Molecular weight: 177.24

Names & synonyms

N-[(3-methoxyphenyl)methyl]cyclopropanamineN-((3-methoxyphenyl)methyl)cyclopropanamineRefChem:822982820-462-4625437-31-2N-(3-methoxybenzyl)cyclopropanaminecyclopropyl(3-methoxybenzyl)amineBenzenemethanamine, N-cyclopropyl-3-methoxy- (9CI)MFCD07409182cyclopropyl[(3-methoxyphenyl)methyl]aminen-(3-methoxybenzyl)cyclopropaneamineBENZENEMETHANAMINE, N-CYCLOPROPYL-3-METHOXY-

Show more names

N-(3-Methoxybenzyl)cyclopropanamine x1hclN-cyclopropyl-3-methoxy-benzenemethanamineN-(3-methoxybenzyl)cyclopropanamine(SALTDATA: HCl)

SCHEMBL1040185DTXSID30405983NUPAMNLYORQZRV-UHFFFAOYSA-NCyclopropyl-(3-methoxybenzyl)amineAAB43731SBB025305STK284163Cyclopropyl-(3-methoxy-benzyl)-amine

Database identifiers

CAS: 625437-31-2
PubChem CID: 4721137
DTXSID: DTXSID30405983

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 156

Physicochemical properties

storage temp.: Store at Room Tem.
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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 CategoriesSkin Corr. 1B (100%)

Safety data

hs_code: 2921490090
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H318
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310