(S)-2-(Aminomethyl)pyrrolidine - CAS 69500-64-7

Catalog:	BB033849
Product Name:	(S)-2-(Aminomethyl)pyrrolidine
CAS:	69500-64-7
Synonyms:	[(2S)-2-pyrrolidinyl]methanamine; [(2S)-pyrrolidin-2-yl]methanamine

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Computed Properties

IUPAC Name:	[(2S)-pyrrolidin-2-yl]methanamine
Description:	(S)-2-(Aminomethyl)pyrrolidine (CAS# 69500-64-7) is a reactant used in the synthesis of nonadenosine analogs as S-adenosyl-L-homocysteine hydrolase inhibitors.
Molecular Weight:	100.16
Molecular Formula:	C5H12N2
Canonical SMILES:	C1CC(NC1)CN
InChI:	InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1
InChI Key:	AUKXFNABVHIUAC-YFKPBYRVSA-N
Boiling Point:	65 ℃ / 11 mmHg (lit.)
Density:	0.933 g/mL at 25℃(lit.)
Appearance:	Liuqid
MDL:	MFCD00191745
LogP:	0.72620

Publication Number	Title	Priority Date
CN-108975292-A	A kind of preparation method of double fluorine sulfonyl imide compounds	20180917
WO-2019226931-A1	Penicillin-binding protein inhibitors	20180525
EP-3802551-A1	Penicillin-binding protein inhibitors	20180525
US-2021198288-A1	Penicillin-binding protein inhibitors	20180525
TW-202002972-A	PD-1/PD-L1 inhibitors	20180419

PMID	Publication Date	Title	Journal
14519921	20031001	Conformation of 2-aminomethylpyrrolidine and 2-aminomethylpiperidine in ternary platinum(II) complexes: regulation of conformation of the diamine by the coexisting ligand	Chemical & pharmaceutical bulletin
12126404	20020726	Chiral N-alkyl-2,4,6-triphenylpyridiniums as enantioselective triplet photosensitizers. laser flash photolysis and preparative studies	The Journal of organic chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	54
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	100.100048391
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.100048391
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6