AG007G0O

324750-04-1 | (S)-1-BENZYL-3-ETHYLPIPERAZINE

AG007G0O

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CAS Number	324750-04-1
Catalog Number	AG007G0O(AGN-PC-0O8X1S)
Chemical Name	(S)-1-BENZYL-3-ETHYLPIPERAZINE
IUPAC Name	(3S)-1-benzyl-3-ethylpiperazine
InChI	InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1
InChI Key	CTPKPBTULPZITK-ZDUSSCGKSA-N
MDL Number	MFCD09608047
Molecular Formula	C13H20N2
Molecular Weight	204.3113
SMILES	CC[C@H]1CN(CC2=CC=CC=C2)CCN1
Synonyms	(S)-1-Benzyl-3-ethylpiperazine, 324750-04-1, (3S)-1-benzyl-3-ethylpiperazine, MFCD09608047, N4-Benzyl-2-ethylpiperazine, 2(s)-ethyl-4-benzylpiperazine, SCHEMBL1005557, CTK8E2841, DTXSID30590520, CTPKPBTULPZITK-ZDUSSCGKSA-N, (S)-N4-Benzyl-2-ethylpiperazine, ZX-AT012872, 4833AJ, ZINC23363468, AKOS015967731, FCH1685688, OR15648, SB21899, KS-0000088L, ACM324750041, AK170525, AS-34885, (3S)-3-Ethyl-1-(phenylmethyl)-piperazine, AB0106464, DB-068637, RT-015515, FT-0771647, A26343, B-1426, B67338, C13H20N2, ACN-030883, C-1136, Piperazine, 3-ethyl-1-(phenylmethyl)-, (3S)-,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	204.163g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.317g/mol
Monoisotopic Mass	204.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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