tert-butyl N-((2R)-1-amino-3-methoxypropan-2-yl)carbamate

HCID 59199768

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Basic information

CAS: 1194973-97-1
Standard SMILES: COC[C@@H](CN)NC(=O)OC(C)(C)C
InChIKey: RIQNSCBRYGWVTD-SSDOTTSWSA-N
Molecular formula: C9H20N2O3
Average molar mass: 204.27 g/mol
Monoisotopic mass: 204.1473925

Names & identifiers

Preferred name: tert-butyl N-((2R)-1-amino-3-methoxypropan-2-yl)carbamate
IUPAC: tert-butyl N-[(2R)-1-amino-3-methoxypropan-2-yl]carbamate

Names & synonyms

1194973-97-1tert-butyl N-[(2R)-1-amino-3-methoxypropan-2-yl]carbamatetert-butyl N-((2R)-1-amino-3-methoxypropan-2-yl)carbamateRefChem:894870979-881-7N2-Boc-(R)-3-methoxypropane-1,2-diamineSCHEMBL1988336RIQNSCBRYGWVTD-SSDOTTSWSA-NMFCD16660333EN300-4749946(R)-tert-Butyl 1-amino-3-methoxypropan-2-ylcarbamate

Database identifiers

CAS: 1194973-97-1
PubChem CID: 59199768
EC Number: 979-881-7

Properties

Computed structural propertiesFilling in

XLogP: -0.1
Topological polar surface area: 73.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 177

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.