1-N-Benzyl-proline - CAS 60169-72-4

Catalog:	BB046994
Product Name:	1-N-Benzyl-proline
CAS:	60169-72-4
Synonyms:	1-Benzylproline; 1-(Phenylmethyl)-DL-proline; BZL-L-PRO-OH

Technical Data

Computed Properties

IUPAC Name:	1-benzylpyrrolidine-2-carboxylic acid
Description:	1-N-Benzyl-proline (CAS# 60169-72-4 ) is a useful research chemical.
Molecular Weight:	205.25
Molecular Formula:	C12H15NO2
Canonical SMILES:	C1CC(N(C1)CC2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)
InChI Key:	XNROFTAJEGCDCT-UHFFFAOYSA-N
Boiling Point:	343.1±35.0 °C at 760 mmHg
Melting Point:	170-170.5 °C
Purity:	95 %
Density:	1.2±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Pyrrolidines

[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[98435-76-8]
1-Ethyl-L-proline
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate
[60298-18-2]
Ethyl 5-oxopyrrolidine-3-carboxylate
[98841-68-0]
N-(2-Hydroxybenzoyl)pyrrolidine

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
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4