AG002FG6

191739-40-9 | 1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester

AG002FG6

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CAS Number	191739-40-9
Catalog Number	AG002FG6(AGN-PC-0KKLQ8)
Chemical Name	1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester
IUPAC Name	benzyl 3-(hydroxymethyl)piperazine-1-carboxylate
InChI	InChI=1S/C13H18N2O3/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2
InChI Key	WYLJXEXNZWQHBJ-UHFFFAOYSA-N
MDL Number	MFCD03001722
Molecular Formula	C13H18N2O3
Molecular Weight	250.2936
SMILES	OCC1NCCN(C(OCC2=CC=CC=C2)=O)C1
Synonyms	191739-40-9, 4-N-Cbz-(2-Hydroxymethyl)piperazine, 4-N-CBZ-2-HYDROXYMETHYL-PIPERAZINE, Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate, 4-n-cbz-2-hydroxymethylpiperazine, 1-PIPERAZINECARBOXYLIC ACID, 3-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, AK-33899, 1-Cbz-3-Hydroxymethylpiperazine hydrochloride, Q-102938, 3-hydroxymethyl-piperazine-1-carboxylic acid benzyl ester, (+/-)-3-Hydroxymethylpiperazine-1-carboxylic acid phenylmethylester, 1-Piperazinecarboxylicacid, 3-(hydroxymethyl)-, phenylmethyl ester, AC1MBVQN, SCHEMBL1624293, CTK4E0777, KS-00000JVF, DTXSID30373870, WYLJXEXNZWQHBJ-UHFFFAOYSA-N, 1-Cbz-3-(hydroxymethyl)piperazine, 4-n-cbz-2-hydroxymethyl piperazine, MFCD03001722, 4-N-Cbz-2-(hydroxymethyl)piperazine, AKOS015897795, AB12873, AN-7225, FCH2718685, RP28902, RTC-064712, BR-33899, DS-12601, AB0023117, AX8002561, DB-012216, ST2418504, TC-064712, 4CH-012520, FT-0083951, FT-0657340, W4113, ref dupl: 4-n-cbz-2-hydroxymethyl-piperazine, 4-N-benzyloxycarbonyl-2-hydroxymethylpiperazine, A12959, S-5488, Benzyl 3-(hydroxymethyl)-1-piperazinecarboxylate, I13-0178, 3-(hydroxymethyl)piperazin-1-carboxylic acid benzyl ester, cc-689, C13H18N2O3, ACN-030908, CID2757383, 4-N-CBZ-2-HYDROXYMETHYLPIPERAZINE -HCl, (R)-Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate, (S)-Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate, 930837-02-8, 930837-03-9,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.132g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.298g/mol
Monoisotopic Mass	250.132g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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