tert-butyl N-(3-hydroxyphenyl)carbamate

HCID 312485

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Basic information

CAS: 19962-06-2
Standard SMILES: CC(C)(C)OC(=O)Nc1cccc(O)c1
InChIKey: HJQNVUQTARSZDK-UHFFFAOYSA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol
Monoisotopic mass: 209.10519334

Names & identifiers

Preferred name: tert-butyl N-(3-hydroxyphenyl)carbamate
IUPAC: tert-butyl N-(3-hydroxyphenyl)carbamate
English name: N-BOC-3-AMINOPHENOL
Molecular formula: C11H15NO3
Molecular weight: 209.24

Names & synonyms

tert-butyl N-(3-hydroxyphenyl)carbamateRefChem:895981628-557-019962-06-2tert-butyl (3-hydroxyphenyl)carbamateTERT-BUTYL 3-HYDROXYPHENYLCARBAMATE3-(Boc-amino)phenolN-Boc-3-aminophenolBoc-3-aminophenolMFCD06798070Carbamic acid, N-(3-hydroxyphenyl)-, 1,1-dimethylethyl esterN-Boc-3-amino-phenol

Show more names

Neostigmine Impurity 12N-Boc-3-aMinophenol 97%Neostigmine bromide Impurity VCarbamic acid,N-(3-hydroxyphenyl)-, 1,1-dimethylethyl ester

tert-butyl(3-hydroxyphenyl)carbamate3-(N-tert-butoxycarbonylamino)phenolAKOS000276959t-Butyloxycarbonylamino-3-hydroxybenzene(tert-butoxy)-N-(3-hydroxyphenyl)carboxamideNSC222586Carbamic acid, (3-hydroxyphenyl)-, 1,1-dimethylethyl ester(3-hydroxyphenyl)carbamic acid tert-butyl ester

Database identifiers

CAS: 19962-06-2
PubChem CID: 312485
DTXSID: DTXSID10310147
EC Number: 628-557-0
Nikkaji: J1.846.099H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 134 · 134-138 °C(lit.)
Boiling point: 286.8 · 286.8±23.0 °C(Predicted)
Density: 1.182 · 1.182±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: solid
pka: 9.69 · 9.69±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h4-7,13H,1-3H3,(H,12,14)
InChIKey: HJQNVUQTARSZDK-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=CC=CC(O)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 280 · P280
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Skin Sens. 1