tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

HCID 21263232

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Basic information

CAS: 184357-44-6
Standard SMILES: CC(C)(CO)CNC(=O)OC(C)(C)C
InChIKey: BHIGZYWRVWZUHG-UHFFFAOYSA-N
Molecular formula: C10H21NO3
Average molar mass: 203.28 g/mol
Monoisotopic mass: 203.15214353

Names & identifiers

Preferred name: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
IUPAC: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
English name: Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)
Molecular formula: C10H21NO3
Molecular weight: 203.28

Names & synonyms

TERT-BUTYL N-(3-HYDROXY-2,2-DIMETHYLPROPYL)CARBAMATERefChem:895973863-910-4184357-44-63-(Boc-amino)-2,2-dimethyl-1-propanoltert-Butyl (3-hydroxy-2,2-dimethylpropyl)carbamatetert-Butyl 3-Hydroxy-2,2-dimethylpropylcarbamateMFCD09951814Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)3-(Boc-amino)-2,2-dimethylpropanoltert-Butyl3-hydroxy-2,2-dimethylpropylcarbamateCARBAMIC ACID, (3-HYDROXY-2,2-DIMETHYLPROPYL)-, 1,1-DIMETHYLETHYL ESTER

Show more names

tert-Butyl (3-hydroxy-2,2-dimethylpropyl)tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate - [B21981]Carbamic acid, N-(3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester

SCHEMBL571043DTXSID80611754BHIGZYWRVWZUHG-UHFFFAOYSA-NAKOS015910349AB55261GS-60013-(Boc-amino)-22-dimethyl-1-propanolSY023898

Database identifiers

CAS: 184357-44-6
PubChem CID: 21263232
DTXSID: DTXSID80611754
EC Number: 863-910-4

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 194

Physicochemical properties

Boiling point: 311 · 311.0±25.0 °C(Predicted)
Density: 0.998 · 0.998±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.67 · 12.67±0.46(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, 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.