1-Benzyl-pyrrolidine-3-carboxylic acid - CAS 5731-18-0
Catalog: |
BB029644 |
Product Name: |
1-Benzyl-pyrrolidine-3-carboxylic acid |
CAS: |
5731-18-0 |
Synonyms: |
1-benzylpyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-benzylpyrrolidine-3-carboxylic acid |
Description: | 1-Benzyl-pyrrolidine-3-carboxylic acid (CAS# 5731-18-0) is a useful research chemical. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | C1CN(CC1C(=O)O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15) |
InChI Key: | RLRDUQNUBMAYDS-UHFFFAOYSA-N |
Boiling Point: | 343.1 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.205 g/cm3 |
MDL: | MFCD03790980 |
LogP: | 1.53100 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015128334-A1 | 3h-thieno[3,4]pyrimidin-4-oneand pyrrolopyrimid-4-one as gram-positive antibacterial agents | 20140227 |
WO-2015128334-A9 | 3h-thieno[3,4]pyrimidin-4-oneand pyrrolopyrimid-4-one as gram-positive antibacterial agents | 20140227 |
KR-20150056727-A | Cleaner Composition and method of manufacturing metal line using the same | 20131115 |
US-2015136728-A1 | Cleaning composition and method of manufacturing metal wiring using the same | 20131115 |
US-2016230289-A1 | Cleaning composition and method of manufacturing metal wiring using the same | 20131115 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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Pyrrolidines
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