Basic information
- CAS
153732-25-3- Standard SMILES
CC(C)(C)OC(=O)NCCc1cccc(Br)c1- InChIKey
TVNPKEKBYKTLNN-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO2
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.05209
Names & identifiers
- Preferred name
- Tert-butyl 3-bromophenethylcarbamate
- IUPAC
- tert-butyl N-[2-(3-bromophenyl)ethyl]carbamate
- English name
- tert-Butyl 3-bromophenethylcarbamate
- Molecular formula
- C13H18BrNO2
- Molecular weight
- 300.19
Names & synonyms
TERT-BUTYL 3-BROMOPHENETHYLCARBAMATE153732-25-3tert-butyl N-[2-(3-bromophenyl)ethyl]carbamateMFCD11042237tert-Butyl (3-bromophenethyl)carbamatetert-butyl [2-(3-bromophenyl)ethyl]carbamateSCHEMBL904075SCHEMBL31457033DTXSID20592735TVNPKEKBYKTLNN-UHFFFAOYSA-Ntert-butyl3-bromophenethylcarbamateDGA73225
Show more names
3-bromobenzenethylaminomacetic acidtertbutyl esterN-[2-(3-bromophenyl)ethyl]carbamic acid tert-butyl estertert-butyl N-[2-(3-bromophenyl)ethyl]carbamate - [AC77902]Carbamic acid, N-[2-(3-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
AKOS015958936AB62837AS-62794SY123382N-tert-butoxycarbonyl-3-bromophenethylamineDB-321590CS-0035910W11305
Database identifiers
- CAS
153732-25-3- PubChem CID
- 18315328
- DTXSID
DTXSID20592735
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 389.6 · 389.6±25.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.63 · 12.63±0.46(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
成都市佳和彬科技有限公司028-61186694 15608078506 · [email protected]
Related reactions
5 records
Compound notes
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