1,2-Dimethyl-3H-benzo[e]indole

CAT: 0127-OR1037494-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1037494-01Size:250 mg

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CAS Number

55970-05-3

MDL Number

MFCD00850046

Purity

98%

Smiles

CC(N1)=C(C)C2=C1C=CC3=CC=CC=C23

Chemical Information

1,2-dimethyl-3H-benzo[e]indole

CAS Number	55970-05-3
PubChem CID	12510045
IUPAC Name	1,2-dimethyl-3H-benzo[e]indole
Molecular Formula	C14H13N
Molecular Weight	195.26
XLogP	4.1
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

CC1=C(NC2=C1C3=CC=CC=C3C=C2)C

InChI

InChI=1S/C14H13N/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8,15H,1-2H3

InChIKey

JLIDRDJNLAWIKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55970-05-3

CID: 12510045

Formula: C14H13N

MW: 195.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.26
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	195.104799419
Monoisotopic Mass	195.104799419
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1064606-01	2,3-Dimethyl-3H-benzo[e]indole
OR94869	3H-benzo[e]indole-2-carboxylic acid
OR1065874-01	1H-Benzo[e]indole-1,2 (3H) -dione
OR1049005-01	2-Ethyl-1,1-dimethyl-1H-benzo[e]indole
OR1051874-01	2,2-Dimethyl-2H-benzo[e][1,3]oxazin-4 (3H) -one
OR13722-01	1,1,2-Trimethyl-1H-benzo[e]indole
OR1060624-01	4,5-Dihydro-3H-benzo[e]indazole
OR1009068-01	1,2,3-Trimetyl-1H-Benzo[e]Indole
OR1012075-01	7H-Benzo[e]Pyrido[2,3-b]Indole
PC510114	1-Benzyl-2-[3- (1-benzyl-1,3-dimethyl-1H-benzo[e]indol-2 (3H) -ylidene) -1-propen-1-yl]-1,3-dimethyl-1H-benzo[e]indol-3-ium Hexafluorophosphate

Catalog	Name
JH919654	1,2-Diphenyl-3H-benzo[e]indole
sc-347480	3H-benzo[e]indole-2-carboxylic acid
FCA97006-01	Methyl 3h-benzo[e]indole-2-carboxylate
290515-01	2,3,3-Trimethyl-3H-benzo[e]indole
sc-460788	N-Boc-1-chloromethyl-1,2-dihydro-3H-benzo[e]indole
436852-01	5-Methoxy-3h-benzo[e]indole-2-carboxylic acid
TRC-T896030-10G	1,1,2-Trimethyl-1H-benzo[e]indole
sc-260204A	2,3,3-Trimethyl-3H-benzo[g]indole
TRC-T896032-50MG	1,1,2-Trimethyl-1H-benzo[e]indole-d6
RCA99724-01	3,3-Dimethyl-3H-indole-2-carboxylic acid