Basic information
- CAS
179412-96-5- Standard SMILES
CC(CCCO)NC(=O)OC(C)(C)C- InChIKey
NRRUAIDJASETCY-UHFFFAOYSA-N- Molecular formula
- C10H21NO3
- Average molar mass
- 203.28 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(5-hydroxypentan-2-yl)carbamate
- IUPAC
- tert-butyl N-(5-hydroxypentan-2-yl)carbamate
- English name
- Carbamic acid, (4-hydroxy-1-methylbutyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C10H21NO3
- Molecular weight
- 203.28
Names & synonyms
179412-96-5tert-butyl N-(5-hydroxypentan-2-yl)carbamateRefChem:896259843-098-8tert-butyl (5-hydroxypentan-2-yl)carbamatetert-butyl 5-hydroxypentan-2-ylcarbamateCarbamic acid, (4-hydroxy-1-methylbutyl)-, 1,1-dimethylethyl ester (9CI)1-Pentanol, 2-[(tert.butoxycarbonyl)amino)-tert-butyl (4-hydroxy-1-methylbutyl)carbamateN-Boc-4-aminopentan-1-ol4-(Boc-amino)-1-pentanolSCHEMBL361540
Show more names
Carbamic acid, N-(4-hydroxy-1-methylbutyl)-, 1,1-dimethylethyl ester
SCHEMBL7306232EHA41296Carbamic acid, (4-hydroxy-1-methylbutyl)-, 1,1-dimethylethyl esterMFCD20483509AKOS018857323AT29904DA-09108tert-butyl(5-hydroxypentan-2-yl)carbamate
Database identifiers
- CAS
179412-96-5- PubChem CID
- 545709
- EC Number
- 843-098-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 312.2 · 312.2±25.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
1 records
Compound notes
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