Basic information
- Standard SMILES
CC(=O)NCC(CCl)OC(C)=O- InChIKey
GOJJPJCUSDMTAT-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO3
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.05057092
Names & identifiers
- Preferred name
- 1-Acetamido-3-chloropropan-2-yl acetate
- IUPAC
- (1-acetamido-3-chloropropan-2-yl) acetate
- English name
- AcetaMide, N-[2-(acetyloxy)-3-chloropropyl]-
- Molecular formula
- C7H12ClNO3
- Molecular weight
- 193.63
Names & synonyms
1-Acetamido-3-chloropropan-2-yl acetate53460-78-9(1-acetamido-3-chloropropan-2-yl) acetaten-[2-(acetyloxy)-3-chloropropyl]acetamide1-Acetamido-3-chloropropan-2-ylacetate1-(acetylamino)-3-chloropropan-2-yl acetateSCHEMBL4113658DTXSID70415465GOJJPJCUSDMTAT-UHFFFAOYSA-NSTK688842AKOS0056015691-Acetamido-2-acetoxy-3-chloropropane
Show more names
AcetaMide, N-[2-(acetyloxy)-3-chloropropyl]-
N-(2-acetoxy-3-chloropropyl)acetamideSB44504N-[2-acetoxy-3-chloropropyl] acetamideDA-42166ST4129928(+/-)-1-acetamido-2-acetoxy-3choropropaneCS-0368060(+/-)-1-Acetamido-2-acetoxy-3chloropropane
Database identifiers
- CAS
53460-78-9- PubChem CID
- 5306152
- DTXSID
DTXSID70415465
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Chemistry & industry
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
14 records
Linked notes
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