Basic information
- CAS
1074-79-9- Standard SMILES
CC(=O)N1CCCC1C(=O)O- InChIKey
GNMSLDIYJOSUSW-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Overview
N-Acetyl-proline is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- DL-Acetylproline
- IUPAC
- 1-acetylpyrrolidine-2-carboxylic acid
- English name
- Ac-DL-Pro-OH
- Molecular formula
- C7H11NO3
- Molecular weight
- 157.17
Names & synonyms
DL-AcetylprolineDTXSID001015808RefChem:1083886DTXCID208933351-acetylpyrrolidine-2-carboxylic acid1074-79-91-AcetylprolineAc-DL-Pro-OHN-Acetyl-DL-prolineAcetyl-DL-prolinen-acetyl-prolineMFCD00063230
Show more names
n-acetylprolineAC-DL-PROLINEN-AC-DL-Pro-OHN-ACETYL-DL-PROAC-DL-PYRD(2)-OHN-Acetyl-DL-prolin
N-acetyl dl-prolineproline, 1-acetyl-n-(acetyl)-dl-prolineSpectrum_Proline,1-acetyl-1-Acetyl-2-pyrrolidinecarboxylic acidSpectrum_000983SpecPlus_000045
Database identifiers
- CAS
1074-79-9、68-95-1- PubChem CID
- 322640
- DTXSID
DTXSID001015808- ChEMBL
CHEMBL1881755- ChEBI
CHEBI:165873- Nikkaji
- J1.024.702K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
Collision Cross Section140.5 Ų [M+Na]+
Physicochemical properties
- Melting point
- 136 · 136-138 °C
- Boiling point
- 146 · 146-153 °C(Press: 0.9 Torr)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.69 · 3.69±0.20(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 1074 · 1074-79-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- WGK Germany
- 3 · 3
- HazardClass
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers46 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司
Related reactions
6 records
Compound notes
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