AG00BXF5

4096-21-3 | 1-Phenylpyrrolidine

AG00BXF5

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CAS Number	4096-21-3
Catalog Number	AG00BXF5(AGN-PC-0JLQWA)
Chemical Name	1-Phenylpyrrolidine
EC Number	223-849-0
IUPAC Name	1-phenylpyrrolidine
InChI	InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
InChI Key	VDQQJMHXZCMNMU-UHFFFAOYSA-N
MDL Number	MFCD00015897
Molecular Formula	C10H13N
Molecular Weight	147.2169
NSC Number	53425
SMILES	N1(C2=CC=CC=C2)CCCC1
Synonyms	1-Phenylpyrrolidine, 4096-21-3, 1-phenyl-pyrrolidine, N-Phenylpyrrolidine, phenylpyrrolidine, Pyrrolidine, 1-phenyl-, VDQQJMHXZCMNMU-UHFFFAOYSA-N, MFCD00015897, W-106327, 1-PHENYL-PYRROLIDIN-3-OL, 1-Phenylpyrolidine, NSC53425, EINECS 223-849-0, N-(phenyl)pyrrolidine, PubChem9192, ACMC-1CTTC, AC1L2TON, SCHEMBL12485, SCHEMBL10519044, CTK1D6636, DTXSID20193963, ZINC1684529, ANW-29534, FCH917526, NSC-53425, AKOS006230184, ACM4096213, FS-4701, MCULE-1511340954, RP21169, AJ-29796, AK116281, CJ-06359, CJ-27789, AX8033618, ST2415467, TC-118279, FT-0608266, ST50824101, X6063, A18753, A19516, K-8700, 096P213, C-52708, I01-2617, InChI=1/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H, 2-Phenylpyrrolidine, C10H13N, CID77726, C10-H13-N, 1006-64-0,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.105g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.221g/mol
Monoisotopic Mass	147.105g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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