Basic information
- CAS
400781-16-0- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc(CBr)n1- InChIKey
ZXRNZPGQEIKABL-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O2
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 286.03168982
Names & identifiers
- Preferred name
- tert-Butyl (6-(bromomethyl)pyridin-2-yl)carbamate
- IUPAC
- tert-butyl N-[6-(bromomethyl)-2-pyridinyl]carbamate
- English name
- tert-butyl 6-(bromomethyl)pyridin-2-ylcarbamate
- Molecular formula
- C11H15BrN2O2
- Molecular weight
- 287.15
Names & synonyms
400781-16-0tert-Butyl (6-(bromomethyl)pyridin-2-yl)carbamateTERT-BUTYL 6-(BROMOMETHYL)PYRIDIN-2-YLCARBAMATETERT-BUTYL N-[6-(BROMOMETHYL)PYRIDIN-2-YL]CARBAMATEtert-butyl N-[6-(bromomethyl)-2-pyridyl]carbamateMFCD16036535tert-Butyl(6-(bromomethyl)pyridin-2-yl)carbamate(6-bromomethyl-pyridin-2-yl)-carbamic acid tert-butyl estertert-Butyl [6-(bromomethyl)pyridin-2-yl]carbamateSCHEMBL1022260SCHEMBL29988292DTXSID90618774
Show more names
ZXRNZPGQEIKABL-UHFFFAOYSA-NAKOS0158414732-(Boc-amino)-6-(bromomethyl)pyridineAS-95873DA-06147G82985EN300-10826935Carbamic acid, N-[6-(bromomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
400781-16-0- PubChem CID
- 21851763
- DTXSID
DTXSID90618774
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 315.6 · 315.6±32.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.27 · 12.27±0.70(Predicted)
- Appearance
- Colorless to light yellow Viscous liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
苏州申拓医药科技有限公司13911244683 18151949202
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
武汉顺源昇生物医药科技有限公司+86-139-7134-9987
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
联化昂健医药科技（上海）有限公司18918657159 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
2 records
Compound notes
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