tert-butyl N-((4-amino-3-methoxyphenyl)methyl)carbamate
Basic information
- CAS
401573-38-4- Standard SMILES
COc1cc(CNC(=O)OC(C)(C)C)ccc1N- InChIKey
PGINQUVNUVLJHB-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- tert-butyl N-((4-amino-3-methoxyphenyl)methyl)carbamate
- IUPAC
- tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamate
- English name
- Carbamic acid, [(4-amino-3-methoxyphenyl)methyl]-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
401573-38-4tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamatetert-butyl N-((4-amino-3-methoxyphenyl)methyl)carbamateRefChem:895067995-647-7tert-Butyl 4-amino-3-methoxybenzylcarbamateSCHEMBL5718761PGINQUVNUVLJHB-UHFFFAOYSA-NBRA57338MFCD24475834AKOS023652050tert-Butyl4-amino-3-methoxybenzylcarbamate
Show more names
Carbamic acid, [(4-amino-3-methoxyphenyl)methyl]-, 1,1-dimethylethyl ester (9CI)
G53340EN300-1705806(4-amino-3-methoxybenzyl)carbamic acid t-butyl esterZ1508753238
Database identifiers
- CAS
401573-38-4- PubChem CID
- 11097064
- EC Number
- 995-647-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 408.6 · 408.6±35.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- pka
- 12.16 · 12.16±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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