Basic information
- CAS
90101-20-5- Standard SMILES
Cc1ccnc(NC(=O)OC(C)(C)C)c1- InChIKey
SABMAMDNSRZJBK-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117775
Names & identifiers
- Preferred name
- tert-butyl N-(4-methylpyridin-2-yl)carbamate
- IUPAC
- tert-butyl N-(4-methyl-2-pyridinyl)carbamate
- English name
- (4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester
- Molecular formula
- C11H16N2O2
- Molecular weight
- 208.26
Names & synonyms
Tert-butyl N-(4-methylpyridin-2-yl)carbamateRefChem:896161836-214-390101-20-5tert-Butyl (4-methylpyridin-2-yl)carbamate(4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester2-(BOC-Amino)-4-picolineMFCD07776933TERT-BUTYL 4-METHYLPYRIDIN-2-YLCARBAMATEN-Boc-2-amino-4-methylpyridine2-(Boc-amino)-4-methylpyridineAB42386
Show more names
4-Methylpyridin-2-amine, 2-BOC protected2-[(tert-Butoxycarbonyl)amino]-4-methylpyridineN-(4-methyl-2-pyridyl)carbamic acid tert-butyl esterN-(4-methyl-2-pyridinyl)carbamic acid tert-butyl ester
tert-butyl 4-methyl-2-pyridinylcarbamateAS-69596tert-butyl(4-methylpyridin-2-yl)carbamatetert-Butyl N-(4-methyl-2-pyridyl)carbamateEN300-127325CARBAMIC ACID, (4-METHYL-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER(4-MethylpyRIDIN-2-YL)carbaMIC ACID TERT-BUTYL ESTERSCHEMBL828560
Database identifiers
- CAS
90101-20-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 118 · 118-119℃
- Boiling point
- 274.2 · 274.2±28.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 12.56 · 12.56±0.70(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
- InChIKey
- SABMAMDNSRZJBK-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1=NC=CC(C)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335-H302
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H315-H319-H335-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers63 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
瑞果（苏州）新材料有限公司0512-87813132-801 13913535368
Related reactions
13 records
Compound notes
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