Basic information
- CAS
95484-17-6- Standard SMILES
CC(=O)CCNC(=O)OCc1ccccc1- InChIKey
QVWVVHRNMKYYBJ-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- benzyl N-(3-oxobutyl)carbamate
- IUPAC
- benzyl N-(3-oxobutyl)carbamate
- English name
- benzyl 3-oxobutylcarbamate
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
95484-17-6Benzyl N-(3-oxobutyl)carbamateRefChem:566811979-633-84-(Cbz-amino)-2-butanoneBenzyl (3-oxobutyl)carbamateBenzyl 3-oxobutylcarbamateMFCD26516661Carbamic acid, (3-oxobutyl)-, phenylmethyl esterPhenylmethyl N-(3-oxobutyl)carbamateCarbamic acid, N-(3-oxobutyl)-, phenylmethyl esterSCHEMBL5217172
Show more names
4-aminobutan-2-one-carbamic acid benzyl ester
VDA484174-N-(benzyloxycarbonyl)-butan-2-oneAKOS027460908AC-30541AS-43278SY041215DB-186913CS-0160343
Database identifiers
- CAS
95484-17-6- PubChem CID
- 11368024
- EC Number
- 979-633-8
- Nikkaji
- J1.591.521H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 384.3 · 384.3±35.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.08 · 12.08±0.46(Predicted)
- 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
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-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
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Accela ChemBio Inc.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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