(5-Chloro-1H-indol-2-yl)methanamine

HCID 4689978CAS 21109-27-3
Substructure searchFind similar structures

Basic information

Standard SMILES
NCc1cc2cc(Cl)ccc2[nH]1
InChIKey
JPXQQXPBWCBYCW-UHFFFAOYSA-N
Molecular formula
C9H9ClN2
Average molar mass
180.63 g/mol
Monoisotopic mass
180.04542597

Names & identifiers

Preferred name
(5-Chloro-1H-indol-2-yl)methanamine
IUPAC
(5-chloro-1H-indol-2-yl)methanamine
English name
(5-Chloro-1H-indol-2-yl)methanamine
Molecular formula
C9H9ClN2
Molecular weight
180.63

Names & synonyms

(5-chloro-1H-indol-2-yl)methanamine21109-27-3DTXSID80405599RefChem:69595DTXCID40356452JPXQQXPBWCBYCW-UHFFFAOYSA-N1H-Indole-2-methanamine, 5-chloro-[(5-Chloro-1H-indol-2-yl)methyl]amine2-(Aminomethyl)-5-chloroindoleMFCD020893991-(5-chloro-1H-indol-2-yl)methanamine(5-Chloro-indol-3-yl)methanamine
Show more names
CHEMBRDG-BB 4002994
(5-CHLORO-1H-INDOL-2-YL)METHYLAMINEOprea1_561021SCHEMBL4153224CHEMBL4575722(5-chloroindol-2-yl)methylamineAKOS B006864ART-CHEM-BB B006864ART-CHEM-BB B014366

Database identifiers

CAS
21109-27-3
PubChem CID
4689978
DTXSID
DTXSID80405599
ChEMBL
CHEMBL4575722

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
41.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
369.8 · 369.8±27.0 °C(Predicted)
Density
1.349 · 1.349±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
16.41 · 16.41±0.30(Predicted)
Appearance
Brown to reddish brown Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H317

Chemistry & industry

Suppliers41 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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(5-Chloro-1H-indol-2-yl)methanamine (HCID 4689978)｜Huagongshe