Methyl pyrrolidine-3-carboxylate hydrochloride - CAS 198959-37-4

Catalog:	BB053763
Product Name:	Methyl pyrrolidine-3-carboxylate hydrochloride
CAS:	198959-37-4
Synonyms:	methylpyrrolidine-3-carboxylatehydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl pyrrolidine-3-carboxylate;hydrochloride
Molecular Weight:	165.62
Molecular Formula:	C6H12ClNO2
Canonical SMILES:	COC(=O)C1CCNC1.Cl
InChI:	InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChI Key:	VVBSXSVVMNGQIN-UHFFFAOYSA-N
Purity:	97%
Appearance:	Liquid

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[55727-59-8]
2-(Pyrrolidin-1-ylmethyl)aniline
[75847-73-3]
Enalapril
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate
[104253-38-5]
Monobenzyl glutaryl n-hydroxysuccinimide
[57616-69-0]
N-(3-Chloropropyl)pyrrolidine Hydrochloride

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0556563
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.0556563
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0