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Home> Encyclopedia > Hot Product Listed 1   > 1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:1)
942-26-7 structure

1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:1)

Iupac Name:2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride
CAS No.:942-26-7
EINECS(EC#): 213-387-8
Molecular Weight:231.12
Molecular Formula:C10H12Cl2N2 (isomer)
Names and Identifiers
Synonyms

1H-Indole-3-ethanamine, 5-chloro-, hydrochloride (1:1) 1h-indole-3-ethanamine, 5-chloro-, monohydrochloride 1H-Indole-3-ethanamine,5-chloro-, monohydrochloride (9CI) 2-(5-chloranyl-1h-indol-3-yl)ethanamine hydrochloride 2-(5-chloro-1h-indol-3-yl) ethanamine hydrochloride 2-(5-chloro-1h-indol-3-yl)ethan-1-amine hydrochloride 2-(5-chloro-1h-indol-3-yl)ethanamine hydrochloride 2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride (1:1) 2-(5-chloro-1h-indol-3-yl)ethylamine hydrochloride 2-(5-chloro-1h-indol-3-yl)-ethylamine hydrochloride 2-(5-chloro-3-indolyl)ethylamine hydrochloride 4CH-007117 5-Chloro-1H-indole-3-ethylamine hydrochloride 5-Chloro-1H-indole-3-ethylamine monohydrochloride 5-chloro-3-(2-aminoethyl)indole hydrochloride 5-chlorotryptamine hydrochloride 5-chlorotryptamine monohydrochloride 5-chlorotryptamine, hcl 96% A823809 AB0016144 AB1005639 AC-23958 ACT03085 AK-32281 akos jy2083619 AKOS001475939 AN-48120 ANW-40225 BB_NC-0898 BIM-0013443.P001 BR-32281 chlorotryptaminehydrochloride DB-013912 DB-013913 einecs 259-789-7 EN300-91838 GS-3392 HE010988 HE182483 Indole, 3-(2-aminoethyl)-5-chloro-, hydrochloride(6CI,7CI,8CI) KB-15162 mfcd00051990 MOLPORT-000-147-284 PBANXRNIXGEHPZ-UHFFFAOYSA-N RP27943 RTR-015281 SCHEMBL686594 ST2411984 SY021124 TOS-BB-0957 TRA0061623 VI30021 Z1266933935

Inchi
InChI=1S/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
InChkey
PBANXRNIXGEHPZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl
Properties
Melting Point
290°C (dec.)
Boiling Point
375.7°Cat760mmHg
Flash Point
181°C
HS Code
2933990090
Safety and Handling
Risk Statements
R22;R36/38
Safety Statements
S26;S36/37/39
Safety

Risk Statements: 22-36/37/38 
R22: Harmful if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:231.12g/mol
  • Molecular Formula:C10H12Cl2N2
  • Compound Is Canonicalized:True
  • Exact Mass:230.038
  • Monoisotopic Mass:230.038
  • Complexity:174
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:41.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAIQAAAADArBHiQ8wPLJkACg AzRnRACCgCAxByAI2aA4ZpgIIOLBk5GEIAhgkADIyAcQgMAOgABAIAACAAAAAIBAAAQAAAAAAAAA AA==
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