7-Methylgramine

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CAS Number

13712-78-2

MDL Number

MFCD00049078

Smiles

CN(C)Cc1c[nH]c2c(C)cccc12

Additionnal Information

Store at 2-8°C

Storage Conditions

Store at 2-8°C

Chemical Information

Indole, 3-((dimethylamino)methyl)-7-methyl-

CAS Number	13712-78-2
PubChem CID	26214
IUPAC Name	N,N-dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine
Molecular Formula	C12H16N2
Molecular Weight	188.27
XLogP	2.2
Topological Polar Surface Area	19
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	191

SMILES

CC1=C2C(=CC=C1)C(=CN2)CN(C)C

InChI

InChI=1S/C12H16N2/c1-9-5-4-6-11-10(8-14(2)3)7-13-12(9)11/h4-7,13H,8H2,1-3H3

InChIKey

VOCVAFRQMGNEDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13712-78-2

CID: 26214

Formula: C12H16N2

MW: 188.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.27
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	188.131348519
Monoisotopic Mass	188.131348519
Topological Polar Surface Area	19 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	191
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

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