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Basic information
- CAS
42116-44-9- Standard SMILES
CC(C)(C)OC(=O)NCc1ccccc1- InChIKey
FWOBBEOKTITUHK-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.273 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- N-Boc benzylamine
- IUPAC
- tert-Butyl benzylcarbamate
- English name
- Carbamic acid, (phenylmethyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
tert-butyl N-benzylcarbamateN-tert-butoxycarbonylbenzylamineN-Boc benzylamine9 tert-Butyl benzylcarbamate1,1-Dimethylethyl N-(phenylmethyl)carbamateCarbamic acid, (phenylmethyl)-, 1,1-dimethylethyl esterCarbamic acid, N-(phenylmethyl)-, 1,1-dimethylethyl esterCarbamic acid, (phenylmethyl)-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
42116-44-9- PubChem CID
- 4615331
- DTXSID
DTXSID50404918- ChEMBL
CHEMBL4994931- EC Number
- 889-349-5
- Nikkaji
- J514.365I
Properties
Physicochemical properties
- Melting point
- 57 · 57-58 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 320.8 · 320.8±21.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers34 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
4 records
Compound notes
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