AG003SAM

53485-07-7 | N1-Methyl-N1-phenylpropane-1,3-diamine

AG003SAM

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CAS Number	53485-07-7
Catalog Number	AG003SAM(AGN-PC-0JT6VI)
Chemical Name	N1-Methyl-N1-phenylpropane-1,3-diamine
IUPAC Name	N'-methyl-N'-phenylpropane-1,3-diamine
InChI	InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChI Key	WGHBKYWUOOANEX-UHFFFAOYSA-N
MDL Number	MFCD00191602
Molecular Formula	C10H16N2
Molecular Weight	164.2474
SMILES	CN(CCCN)C1=CC=CC=C1
Synonyms	N-(3-Aminopropyl)-N-methylaniline, 53485-07-7, N1-methyl-N1-phenylpropane-1,3-diamine, N-methyl-N-phenylpropane-1,3-diamine, N-Methyl-N-phenyltrimethylenediamine, 1,3-Propanediamine, N-methyl-N-phenyl-, n1-methyl-n1-phenyl-propane-1,3-diamine, WGHBKYWUOOANEX-UHFFFAOYSA-N, n-(3-aminopropyl)-n-methylbenzenamine, N'-methyl-N'-phenylpropane-1,3-diamine, (3-aminopropyl)methylphenylamine, AC1Q3XGX, AC1Q4TRT, AC1LB7J4, SCHEMBL544087, ACMC-209l82, CTK1G8111, WGHBKYWUOOANEX-UHFFFAOYSA-, DTXSID20342015, ALBB-021086, ZINC2556905, 5110AE, 5111AE, ANW-31776, BBL009284, MFCD00191602, SBB051731, SP4043, STK649755, AKOS000121431, AB04605, MCULE-1115100476, N-Methyl-N-phenyl-propane-1,3-diamine, DA-42164, N1-methyl-N1-phenyl-1,3-Propanediamine, SC-39965, TS-00123, AB0090377, n-1-methyl-n1-phenyl-propane-1,3-diamine, TR-030694, BB 0221284, FT-0677120, R2533, ST50370651, KS-00001482, N~1~-methyl-N~1~-phenyl-1,3-propanediamine, N-(3-AMINOPROPYL)-N-METHYL-N-PHENYLAMINE, I14-62925, InChI=1/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3, N- -N-METHYLANILINE, C10H16N2, C11H18N2, AR-1K7777, CID577774, n1-ethyl-n1-phenyl-propane-1,3-diamine, A1295, 58744-49-3,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.131g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.252g/mol
Monoisotopic Mass	164.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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