AG001UL4

1640-39-7 | 3H-Indole, 2,3,3-trimethyl-

AG001UL4

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CAS Number	1640-39-7
Catalog Number	AG001UL4(AGN-PC-0JKCAG)
Chemical Name	3H-Indole, 2,3,3-trimethyl-
EC Number	216-685-6
IUPAC Name	2,3,3-trimethylindole
InChI	InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChI Key	FLHJIAFUWHPJRT-UHFFFAOYSA-N
MDL Number	MFCD00005724
Molecular Formula	C11H13N
Molecular Weight	159.2276
NSC Number	65633
SMILES	CC1(C)c2c(N=C1C)cccc2
Synonyms	2,3,3-Trimethylindolenine, 1640-39-7, 2,3,3-TRIMETHYL-3H-INDOLE, 2,3,3-trimethylindole, 3H-Indole, 2,3,3-trimethyl-, MFCD00005724, NSC 65633, CCRIS 6607, EINECS 216-685-6, 2,3,3-Trimethyl-indolenin, AI3-51456, FLHJIAFUWHPJRT-UHFFFAOYSA-N, 2,3,3-Trimethylindolenine, 98%, 2,3,3-trimethyl-3-hydroindole, NSC65633, PubChem7445, rarechem ah bs 0130, 2,3-Trimethylindolenine, 2,3,3-trimethyl-indole, 2,3,3-Trimethyindolenine, 2,3-Trimethyl-3H-indole, AC1L25VO, akos bbs-00006367, DSSTox_CID_29363, DSSTox_RID_83478, 2,3,3-trimethyl indolenine, 2,3,3-trimethyl-indolenine, 3H-Indole,3,3-trimethyl-, DSSTox_GSID_49403, 2,3,3-trimethyl-3h-indol, labotest-bb lt02056505, KSC933Q2J, SCHEMBL101153, AMBZ0239, SCHEMBL6153645, Jsp003294, CHEMBL2393311, DTXSID9049403, CTK8D3824, KS-00000GBO, 2,3,3-trimethyl-(3H)-indole, 2,3,3-trimethyl-(3H)-indoleine, ACT02501, ZINC3860805, Tox21_202974, 2,3,3-trimethyl-3H-benzo[b]azole, BBL027538, NSC-65633, SBB042434, STK803583, 2,3,3-trimethyl-3H-benzo [b]azole, AKOS000270800, AM84561, CS-W016176, MCULE-6687462244, RP22291, RTC-060678, TRA0030684, VI30137, NCGC00260520-01, AC-27778, AJ-46057, AK-47497, AN-49601, AS-14403, BR-47497, L012, SC-01525, CAS-1640-39-7, DB-043579, LS-188246, TC-060678, BB 0261376, FT-0609320, ST24027254, ST50817376, TL80074169, M-6388, T-6650, I01-2485, Q-102563, F0001-0594, Z1235963403, 54683-96-4, C11H13N, ACN-S002391, CID15427, C11-H13-N, A3642, T0766, 2,3,3-Trimethylindolenine, 97.5% - 100G 100g,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.232g/mol
Monoisotopic Mass	159.105g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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