tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate

HCID 11637262

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Basic information

CAS: 225240-83-5
Standard SMILES: CN(Cc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIKey: ZXZZEBPOSRKQAU-UHFFFAOYSA-N
Molecular formula: C13H20N2O2
Average molar mass: 236.31 g/mol

Names & identifiers

Preferred name: tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate
IUPAC: tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate
English name: tert-butyl 4-aMinobenzyl(Methyl)carbaMate
Molecular formula: C13H20N2O2
Molecular weight: 236.31

Names & synonyms

225240-83-5tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamatetert-butyl N-((4-aminophenyl)methyl)-N-methylcarbamateRefChem:895071822-356-3tert-butyl 4-aMinobenzyl(Methyl)carbaMateTERT-BUTYL (4-AMINOBENZYL)(METHYL)CARBAMATEMFCD124133744-Amino-N-Boc-N-methylbenzylaminetert-butyl 4-aminobenzylmethylcarbamateSCHEMBL2227505Tert-butyl N-[(4-aminophenyl)methyl]-N-methyl-carbamate

Show more names

N-Methyl-N-(4-aminobenzyl)carbamic acid tert-butyl esterCarbamic acid, N-[(4-aminophenyl)methyl]-N-methyl-, 1,1-dimethylethyl ester

ZXZZEBPOSRKQAU-UHFFFAOYSA-NAJA24083AKOS009496326AS-65093DB-335726EN300-224515W19118F829819

Database identifiers

CAS: 225240-83-5
PubChem CID: 11637262
EC Number: 822-356-3

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 253

Physicochemical properties

Boiling point: 359.8 · 359.8±21.0 °C(Predicted)
Density: 1.084 · 1.084
storage temp.: RT, protect from light
pka: 4.4 · 4.40±0.10(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H335-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

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: H302-H319-H335-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362