Methyl 1-benzyllpyrrolidine-3-carboxylate - CAS 17012-21-4

Catalog:	BB053768
Product Name:	Methyl 1-benzyllpyrrolidine-3-carboxylate
CAS:	17012-21-4
Synonyms:	Methyl1-benzylpyrrolidine-3-carboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 1-benzylpyrrolidine-3-carboxylate
Molecular Weight:	219.28
Molecular Formula:	C13H17NO2
Canonical SMILES:	COC(=O)C1CCN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:	GDWFCUOFVSNTTG-UHFFFAOYSA-N
Boiling Point:	292.1±33.0 °C at 760 mmHg
Purity:	>98% by GC
Density:	1.1±0.1 g/cm3
Appearance:	Orange Liquid
MDL:	MFCD04038678

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Pyrrolidines

[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.125928785
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7