Basic information
- CAS
439095-25-7- Standard SMILES
CC(C)C(NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
CYYGRFHGTQAQJW-UHFFFAOYSA-N- Molecular formula
- C18H21NO4S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.11912932
Names & identifiers
- Preferred name
- Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate
- IUPAC
- benzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate
- English name
- BENZYL N-[2-METHYL-1-(PHENYLSULFONYL)PROPYL]CARBAMATE
- Molecular formula
- C18H21NO4S
- Molecular weight
- 347.43
Names & synonyms
439095-25-7Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamatebenzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamateBenzyl (2-methyl-1-(phenylsulfonyl)propyl)carbamatebenzyl N-[2-methyl-1-(phenylsulfonyl)propyl]carbamateMFCD03012203Benzyl [2-methyl-1-(phenylsulfonyl)propyl]carbamateBB-0004Oprea1_866991DTXSID90395856AKOS005071964CS-0332247
Show more names
Carbamic acid, N-[2-methyl-1-(phenylsulfonyl)propyl]-, phenylmethyl ester
Benzyl(2-methyl-1-(phenylsulfonyl)propyl)carbamateBenzyl [1-(benzenesulfonyl)-2-methylpropyl]carbamateBenzyl N-[2-methyl-1-(phenylsulphonyl)propyl]carbamate
Database identifiers
- CAS
439095-25-7- PubChem CID
- 3746367
- DTXSID
DTXSID90395856
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Melting point
- 100 · 100-101°C
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
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
- 2930909899
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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