AG003CG0

64030-44-0 | (S)-N-(Pyrrolidin-2-ylmethyl)aniline

AG003CG0

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CAS Number	64030-44-0
Catalog Number	AG003CG0(AGN-PC-0OEJ61)
Chemical Name	(S)-N-(Pyrrolidin-2-ylmethyl)aniline
IUPAC Name	N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
InChI	InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1
InChI Key	MCHWKJRTMPIHRA-NSHDSACASA-N
MDL Number	MFCD00015890
Molecular Formula	C11H16N2
Molecular Weight	176.2581
SMILES	C1(NC[C@H]2NCCC2)=CC=CC=C1
Synonyms	64030-44-0, (S)-(+)-2-(Anilinomethyl)pyrrolidine, (S)-N-(Pyrrolidin-2-ylmethyl)aniline, (S)-2-(Anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, CHEMBL309428, (S)-Phenyl-pyrrolidin-2-ylmethyl-amine, MFCD00015890, (S)-(+)-2-(Anilinomethyl)pyrrolidine, 95%, PubChem8116, AC1OCTIY, SCHEMBL1116568, CTK5C0505, DTXSID70426197, MCHWKJRTMPIHRA-NSHDSACASA-N, ZINC389827, (2S)-2-(Anilinomethyl)pyrrolidine, ANW-34791, BDBM50287822, (s)-2-(phenylaminomethyl)-pyrrolidine, AKOS015853777, S)-(+)-2-(Anilinomethyl)pyrrolidine, LS30083, AJ-20968, N-[[(2S)-pyrrolidin-2-yl]methyl]aniline, Phenyl-(S)-1-pyrrolidin-2-ylmethyl-amine, AB1011132, DB-073431, TR-021981, 2-Pyrrolidinemethanamine,N-phenyl-, (2S)-, A0945, FT-0605243, (S)-(+)-2-(Anilinomethyl)pyrrolidine, 96%, S-8140, I14-3912, - -2- PYRROLIDINE, N-(pyrrolidin-2-ylmethyl)aniline, CID6950385, (S)-( )-2-(Anilinomethyl)pyrrolidine, 97% - 1G 1g,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	176.131g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.263g/mol
Monoisotopic Mass	176.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	24.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3267

Certificate of Analysis

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