Cas no 98426-29-0 (Proline, 4-allyl- (6CI))
Proline, 4-allyl- (6CI) structure
Product Name:Proline, 4-allyl- (6CI)
CAS No:98426-29-0
MF:C8H13NO2
MW:155.194322347641
CID:801775
PubChem ID:69776561
Update Time:2025-04-19
Proline, 4-allyl- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- Proline, 4-allyl- (6CI)
- SCHEMBL6425182
- 4-Prop-2-en-1-yl-L-proline
- 98426-29-0
- DTXSID20741307
-
- Inchi: 1S/C8H13NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2,6-7,9H,1,3-5H2,(H,10,11)/t6?,7-/m0/s1
- InChI Key: JMWRIQIIDLNILM-MLWJPKLSSA-N
- SMILES: OC([C@@H]1CC(CC=C)CN1)=O
Computed Properties
- Exact Mass: 155.094628657g/mol
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -1.4
- Topological Polar Surface Area: 49.3?2
Proline, 4-allyl- (6CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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