Basic information
- CAS
162046-50-6- Standard SMILES
CC(C)(C)OC(=O)NCc1ccccc1N- InChIKey
ZTBNOFSSMFDTHM-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- tert-butyl N-[(2-aminophenyl)methyl]carbamate
- IUPAC
- tert-butyl N-[(2-aminophenyl)methyl]carbamate
- English name
- (2-Amino-benzyl)-carbamic acid tert-butyl ester
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
Tert-butyl N-[(2-aminophenyl)methyl]carbamatetert-butyl N-((2-aminophenyl)methyl)carbamateRefChem:894832889-286-3162046-50-6tert-butyl 2-aminobenzylcarbamate(2-Amino-benzyl)-carbamic acid tert-butyl esterMFCD04071350(2-Aminobenzyl)carbamic acid tert-butyl estertert-Butyl (2-aminobenzyl)carbamate2-(BOC-AMINOMETHYL)ANILINECarbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester
Show more names
(2-Aminobenzyl) carbamic acid tert-butyl estertert-Butyl2-aminobenzylcarbamate2-(tert-butoxycarbonylaminomethyl)anilineCarbamic acid, [(2-aminophenyl)methyl]-, 1,1-dimethylethyl esterCarbamic acid, N-[(22-[(Boc-amino)methyl]anilineSCHEMBL2061998CHEMBL4974715
Database identifiers
- CAS
162046-50-6- PubChem CID
- 4409487
- DTXSID
DTXSID20402961- ChEMBL
CHEMBL4974715- EC Number
- 889-286-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 93 ℃ · 93℃
- Boiling point
- 382.5 · 382.5±25.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 12.1 · 12.10±0.46(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 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]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海常丰生物医药科技有限公司
Related reactions
5 records
Compound notes
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