AG0006PI

1021392-83-5 | 3-Oxetanemethanamine, 3-[(phenylmethyl)amino]-

AG0006PI

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CAS Number	1021392-83-5
Catalog Number	AG0006PI(AGN-PC-0WA7WK)
Chemical Name	3-Oxetanemethanamine, 3-[(phenylmethyl)amino]-
IUPAC Name	3-(aminomethyl)-N-benzyloxetan-3-amine
InChI	InChI=1S/C11H16N2O/c12-7-11(8-14-9-11)13-6-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2
InChI Key	KIIWSWUJHJELRW-UHFFFAOYSA-N
MDL Number	MFCD17168407
Molecular Formula	C11H16N2O
Molecular Weight	192.2575
SMILES	NCC1(NCc2ccccc2)COC1
Synonyms	3-(aminomethyl)-N-benzyloxetan-3-amine, 1021392-83-5, 3-[(PHENYLMETHYL)AMINO]-3-OXETANEMETHANAMINE, (3-Aminomethyl-oxetan-3-yl)-benzyl-amine, SCHEMBL77054, DTXSID80725547, KIIWSWUJHJELRW-UHFFFAOYSA-N, MFCD17168407, ZINC72194093, AKOS015949494, PB25637, RP07418, 3-(aminomethyl)-N-benzyl-3-oxetanamine, KS-000003Y0, AS-32741, AJ-119493, ST1020103, 4CH-022392, CS-0051728, FT-0684900, Y6821, C-8327, J-511442, W-204447, 3-OXETANEMETHANAMINE, 3-[(PHENYLMETHYL)AMINO]-, C11H16N2O,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.126g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	192.262g/mol
Monoisotopic Mass	192.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	47.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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