Basic information
- CAS
186663-74-1- Standard SMILES
CC(C)(C)OC(=O)Nc1ccccc1O- InChIKey
UQLYDIDMLDTUDL-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- N-Boc-2-aminophenol
- IUPAC
- tert-butyl N-(2-hydroxyphenyl)carbamate
- English name
- N-Boc-2-aminophenol
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
186663-74-1N-Boc-2-aminophenolDTXSID90406850RefChem:363476DTXCID40357702626-342-6tert-butyl (2-hydroxyphenyl)carbamatetert-butyl N-(2-hydroxyphenyl)carbamateMFCD064113002-(Boc-amino)phenol2-tert-butyloxycarbonylaminophenoltert-butyl(2-hydroxyphenyl)carbamate
Show more names
tert-Butyl o-hydroxyphenylcarbamate(3-oxo-1lambda3,2-benziodoxol-3-yl)acetateCarbamic acid, N-(2-hydroxyphenyl)-, 1,1-dimethylethyl esterCarbamic acid, (2-hydroxyphenyl)-, 1,1-dimethylethyl ester (9CI)2-Hydroxyphenyl carbamic acid tert-butyl ester, N-tert-Butoxycarbonyl-2-aminophenol
DS-9267SY115647N-Boc-2-aminophenol, 97%SCHEMBL1794452SCHEMBL2940952CHEMBL5004821SCHEMBL27592775UQLYDIDMLDTUDL-UHFFFAOYSA-
Database identifiers
- CAS
186663-74-1- PubChem CID
- 4935485
- DTXSID
DTXSID90406850- ChEMBL
CHEMBL5004821- EC Number
- 626-342-6
- Nikkaji
- J1.233.061H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 140 · 140-144 °C (lit.)
- Boiling point
- 265.6 · 265.6±23.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Chloroform, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 9.74 · 9.74±0.35(Predicted)
- color
- White
- InChI
- 1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h4-7,13H,1-3H3,(H,12,14)
- InChIKey
- UQLYDIDMLDTUDL-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)Nc1ccccc1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- risk_code
- 36/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN-Boc-2-aminophenol is an Boc protected 2-Aminophenol (A618930), an isomer of 4-Aminophenol (A618920).
Upstream & downstream products
Upstream raw materials
Suppliers51 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
3 records
Compound notes
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