AG002Z6W

29711-79-3 | 1-Naphthalenamine, 4-isothiocyanato-N,N-dimethyl-

AG002Z6W

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CAS Number	29711-79-3
Catalog Number	AG002Z6W(AGN-PC-0JLNY7)
Chemical Name	1-Naphthalenamine, 4-isothiocyanato-N,N-dimethyl-
EC Number	249-800-3
IUPAC Name	4-isothiocyanato-N,N-dimethylnaphthalen-1-amine
InChI	InChI=1S/C13H12N2S/c1-15(2)13-8-7-12(14-9-16)10-5-3-4-6-11(10)13/h3-8H,1-2H3
InChI Key	SMZHGTXTWIAKGS-UHFFFAOYSA-N
MDL Number	MFCD00003883
Molecular Formula	C13H12N2S
Molecular Weight	228.3128
SMILES	CN(C1=C2C=CC=CC2=C(N=C=S)C=C1)C
Synonyms	4-N,N-dimethylamino-1-naphthylisothiocyanate, DNTC, 29711-79-3, 4-Dimethylamino-1-naphthyl Isothiocyanate, 4-DIMETHYLAMINO-1-NAPHTHYLISOTHIOCYANATE, 4-Isothiocyanato-N,N-dimethylnaphthalen-1-amine, DANITO, 4-(Dimethylamino)-1-naphthyl isothiocyanate, 4-N,N-Dimethylamino-1-naphthylisothiocyanate, SMZHGTXTWIAKGS-UHFFFAOYSA-N, N-(4-Isothiocyanato-1-naphthyl)-N,N-dimethylamine, 4-Isothiocyanato-N,N-dimethyl-1-naphthalenamine, 1-Naphthalenamine, 4-isothiocyanato-N,N-dimethyl-, 4-(dimethylamino)naphthalenisothiocyanate, EINECS 249-800-3, ACMC-209umu, AC1L3UMV, AC1Q7EWY, SCHEMBL592754, CTK4G3703, DTXSID80183860, ZINC152276, ANW-43972, MFCD00003883, SBB097330, AKOS015894832, RP05463, ACM29711793, 4-Dimethylamino-1-naphthyl 1sothiocyanate, BP-10948, CC-19051, OR322459, ZB005141, DB-047633, TC-132717, D1669, FT-0629232, ST50825783, Y8595, 4-(dimethylamino )-1-naphthyl isothiocyanate, N-(4-sothocyanato-1-naphthyl)-n,n-dmethylamne, 4-isothiocyanato-N,N-dimethyl-naphthalen-1-amine, 1-Naphthalenamine,4-isothiocyanato-N,N-dimethyl-, 4-Isothiocyanato-N,N-dimethyl-1-naphthalenamine #, A820017, C-13121, I05-2681, J-523064, Isothiocyanic acid, 4-(dimethylamino)-1-naphthyl ester, 4-Dimethylamino-1-naphthyl Isothiocyanate [for HPLC Labeling], C13H12N2S, AR-1F6885, C13-H12-N2-S, CID122465, ZINC00152276, 305331-46-8,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.072g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.313g/mol
Monoisotopic Mass	228.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

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