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

HCID 15451
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1654-34-8
Standard SMILES
CN(C)Cc1c[nH]c2c([N+](=O)[O-])cccc12
InChIKey
YLVPUBNLOINGDI-UHFFFAOYSA-N
Molecular formula
C11H13N3O2
Average molar mass
219.24 g/mol
Monoisotopic mass
219.10077666

Names & identifiers

Preferred name
Indole, 3-((dimethylamino)methyl)-7-nitro-
IUPAC
N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine
English name
7-Nitrogramine
Molecular formula
C11H13N3O2
Molecular weight
219.24

Names & synonyms

7-Nitrogramine1654-34-8NSC 70813BRN 0480620INDOLE, 3-((DIMETHYLAMINO)METHYL)-7-NITRO-DTXSID001679405-22-10-00037 (Beilstein Handbook Reference)RefChem:349190DTXCID8090431N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine3-(Dimethylamino)-7-nitro-1H-indoleNSC70813
Show more names
1H-Indole-3-methanamine, N,N-dimethyl-7-nitro-
SCHEMBL260846SCHEMBL30799165YLVPUBNLOINGDI-UHFFFAOYSA-NNSC-70813BS-27402

Database identifiers

CAS
1654-34-8
PubChem CID
15451
DTXSID
DTXSID00167940

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
64.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
69 · 69-71 °C
Boiling point
377.9 · 377.9±27.0 °C(Predicted)
Density
1.287 · 1.287
pka
13.96 · 13.96±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
天津康利欣科技有限公司18622939839

Related reactions

14 records
New reaction record

Compound notes

Loading…