AG003LGT

39905-44-7 | 4-(Heptyloxy)aniline

AG003LGT

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CAS Number	39905-44-7
Catalog Number	AG003LGT(AGN-PC-0JMSLD)
Chemical Name	4-(Heptyloxy)aniline
IUPAC Name	4-heptoxyaniline
InChI	InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
InChI Key	LTGYTOOKQWFTQG-UHFFFAOYSA-N
MDL Number	MFCD00038135
Molecular Formula	C13H21NO
Molecular Weight	207.3119
SMILES	NC1=CC=C(OCCCCCCC)C=C1
Synonyms	4-Heptyloxyaniline, 4-(Heptyloxy)aniline, 39905-44-7, p-Heptyloxyaniline, 4-n-Heptyloxyaniline, 4-heptoxyaniline, LTGYTOOKQWFTQG-UHFFFAOYSA-N, GEO-01475, 4-heptyloxyphenylamine, FR-1145, W-200346, p-(heptyloxy)aniline, ACMC-20amhk, AC1L3L0R, Benzenamine,4-(heptyloxy)-, ARONIS010117, SCHEMBL1143258, CTK4I2085, BBB/087, DTXSID40192958, KS-000041KF, ZINC2575530, ZX-AS003312, 2511AE, MFCD00038135, SBB008270, STL062134, AKOS000100867, FS-3880, MCULE-3321993075, VZ29139, ACM39905447, CC-19383, BB0287085, DB-049497, TL8002881, TR-015921, FT-0639589, ST45046848, A824797, C-10480, 4-(heptyloxy)phenylamine, C13H21NO, CID142391,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.162g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.317g/mol
Monoisotopic Mass	207.162g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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