AG0077PA

17150-62-8 | Benzenemethanamine,N-3-buten-1-yl-

AG0077PA

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CAS Number	17150-62-8
Catalog Number	AG0077PA(AGN-PC-0L9W6J)
Chemical Name	Benzenemethanamine,N-3-buten-1-yl-
IUPAC Name	N-benzylbut-3-en-1-amine
InChI	InChI=1S/C11H15N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2
InChI Key	DGTNEDHBSGFIBX-UHFFFAOYSA-N
MDL Number	MFCD01249643
Molecular Formula	C11H15N
Molecular Weight	161.2435
SMILES	C=CCCNCC1=CC=CC=C1
Synonyms	17150-62-8, N-benzylbut-3-en-1-amine, N-benzyl-3-butenylamine, N-Benzyl-N-(3-butenyl)amine, benzyl(but-3-en-1-yl)amine, Benzenemethanamine,N-3-buten-1-yl-, benzylbutenylamine, but-3-enylbenzylamine, PubChem14561, N-(3-Butenyl)benzylamine, 1-(Benzylamino)but-3-ene, AC1N9T6Z, N-Benzyl-3-butene-1-amine, SCHEMBL3011216, N-(But-3-en-1-yl)benzylamine, SCHEMBL13123617, CTK4D3956, DTXSID20402421, Benzenemethanamine, N-3-butenyl-, DGTNEDHBSGFIBX-UHFFFAOYSA-N, N-(phenylmethyl)-3-buten-1-amine, N-(phenylmethyl)but-3-en-1-amine, ZINC2573713, 5530AD, MFCD01249643, SBB087545, AKOS005073495, Benzenemethanamine, N-3-buten-1-yl-, MA-0848, RP10235, KS-000027M8, SC-34024, TR-007547, CS-0035925, FT-0681203, C-6321, A811332, I05-1213, J-523478, N-benzyl-3-buten-1-ylamine, C11H15N, CID4366091,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.12g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.248g/mol
Monoisotopic Mass	161.12g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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