AG00HV18

1374669-63-2 | (R)-1-CBZ-4-BOC-2-CYANOPIPERAZINE

AG00HV18

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CAS Number	1374669-63-2
Catalog Number	AG00HV18
Chemical Name	(R)-1-CBZ-4-BOC-2-CYANOPIPERAZINE
IUPAC Name	1-O-benzyl 4-O-tert-butyl (2R)-2-cyanopiperazine-1,4-dicarboxylate
InChI	InChI=1S/C18H23N3O4/c1-18(2,3)25-16(22)20-9-10-21(15(11-19)12-20)17(23)24-13-14-7-5-4-6-8-14/h4-8,15H,9-10,12-13H2,1-3H3/t15-/m0/s1
InChI Key	INPROUMRGMMTSE-HNNXBMFYSA-N
MDL Number	MFCD22377990
Molecular Formula	C18H23N3O4
Molecular Weight	345.3929
SMILES	C(=O)(OCc1ccccc1)N1[C@@H](C#N)CN(CC1)C(=O)OC(C)(C)C
Synonyms	(R)-1-CBZ-4-BOC-2-CYANOPIPERAZINE, 1374669-63-2, (R)-1-Benzyl 4-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate, ZINC79061931, AS-30050, 955016-62-3,

Complexity	528
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	345.168856g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	345.4g/mol
Monoisotopic Mass	345.168856g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	82.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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