Basic information
- CAS
117654-86-1- Standard SMILES
CC(C)(C)OC(=O)N(CCCCO)Cc1ccccc1- InChIKey
LJWTWHZDQSLGOH-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- tert-Butyl benzyl(4-hydroxybutyl)carbamate
- IUPAC
- tert-butyl N-benzyl-N-(4-hydroxybutyl)carbamate
- English name
- CHEMBRDG-BB 4011734
- Molecular formula
- C16H25NO3
- Molecular weight
- 279.37
Names & synonyms
117654-86-1tert-Butyl benzyl(4-hydroxybutyl)carbamateDTXSID00621431RefChem:894623DTXCID90572185TERT-BUTYL N-BENZYL-N-(4-HYDROXYBUTYL)CARBAMATEMFCD08059840tert-Butylbenzyl(4-hydroxybutyl)carbamateSCHEMBL5737640LJWTWHZDQSLGOH-UHFFFAOYSA-N4-(Boc-(benzyl)amino)-butan-1-olAKOS022184546
Show more names
CHEMBRDG-BB 4011734tert-butyl benzyl(4-hydroxybutyl)carbamate(SALTDATA: FREE)Carbamic acid, (4-hydroxybutyl)(phenylmethyl)-, 1,1-dimethylethyl esterCarbamic acid, N-(4-hydroxybutyl)-N-(phenylmethyl)-, 1,1-dimethylethyl ester
BS-36810DB-210616G62143F309051tert-Butyl benzyl(4-hydroxybutyl)carbamate, AldrichCPRbenzyl-(4-hydroxy-butyl)-carbamic acid tert butyl ester4-[N-(t-butoxycarbonyl)-N-[(phenyl)methyl]-amino]butan-1-o14-[N-(t-butoxycarbonyl)-N-[(phenyl)methyl]-amino]butan-1-ol
Database identifiers
- CAS
117654-86-1- PubChem CID
- 22006367
- DTXSID
DTXSID00621431
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 403.3 · 403.3±34.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 15.11 · 15.11±0.10(Predicted)
- UNSPSC Code
- 12352200 · 12352200
- Hazard Codes
- T
- Risk Statements
- 25 · 25-43
- Safety Statements
- 36 · 36/37-45
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- risk_code
- 25-43
- hazard_code
- T
- safety_code
- 36/37-45
Chemistry & industry
Suppliers3 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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