Basic information
- CAS
54164-07-7- Standard SMILES
CC(C)[C@H](N)C(=O)N1CCCC1- InChIKey
IHBAVXVTGLANPI-QMMMGPOBSA-N- Molecular formula
- C9H18N2O
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.1419132
Overview
structure given in first source
Names & identifiers
- Preferred name
- Valine-pyrrolidide
- IUPAC
- (2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
- English name
- (S)-2-Amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one
- Molecular formula
- C9H18N2O
- Molecular weight
- 170.25
Names & synonyms
valine-pyrrolidideVal-pyrrolidideRefChem:8513254164-07-7(2S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one(S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-oneMFCD09724545CHEMBL383705N-L-Valine-pyrrolidide(S)-2-Amino-3-methyl-1-pyrrolidino-1-butanone
Show more names
(S)-2-Amino-3-methyl-1-pyrrolidino-1-butanone HCl(S)-2-AMino-3-Methyl-1-(1-pyrrolidinyl)-1-butanone HCl1-Butanone, 2-amino-3-methyl-1-(1-pyrrolidinyl)-, (2S)-(S)-2-Amino-3-methyl-1-pyrrolidino-1-butanone hydrochloride
1n1mA3MSCHEMBL111112Pyrrolidine, 1-[(2S)-2-amino-3-methyl-1-oxobutyl]-DTXSID50332247BDBM50178428EBC-47411AKOS010391077
Database identifiers
- CAS
54164-07-7
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- Store at Room Tem.
- 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.
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
Suppliers7 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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