5-Chlorotryptamine

HCID 77379CAS 3764-94-1
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCc1c[nH]c2ccc(Cl)cc12
InChIKey
FVQKQPVVCKOWLM-UHFFFAOYSA-N
Molecular formula
C10H11ClN2
Average molar mass
194.66 g/mol
Monoisotopic mass
194.06107603

Names & identifiers

Preferred name
5-Chlorotryptamine
IUPAC
2-(5-chloro-1H-indol-3-yl)ethanamine
English name
5-CHLOROTRYPTAMINE HYDROCHLORIDE
Molecular formula
C10H11ClN2
Molecular weight
194.66

Names & synonyms

5-Chlorotryptamine3764-94-15-Chloro-1H-indole-3-ethylamineDTXSID501910739V4S232P62RefChem:534327DTXCID60113564223-184-62-(5-chloro-1H-indol-3-yl)ethanamine1H-Indole-3-ethanamine, 5-chloro-5-Chloro-1H-indole-3-ethanamine2-(5-chloro-1H-indol-3-yl)ethan-1-amine
Show more names
AKOS JY2083619RARECHEM AH BS 00895-CHLOROTRYPTAMINE, HCL5-Chloro-3-indoleethanamine5-CHLOROTRYPTAMINE HYDROCHLORIDE5-Chloro-3-(2-aminoethyl)-1H-indole
MFCD00130168CHEMBL12887162-(5-Chloranyl-1~{h}-Indol-3-Yl)ethanamine2-(5-chloroindol-3-yl)ethylamine1H-Indole-3-ethanamine,5-chloro-6SOEINECS 223-184-6Indole, 3-(2-aminoethyl)-5-chloro-

Database identifiers

CAS
3764-94-1
PubChem CID
77379
DTXSID
DTXSID50191073
ChEMBL
CHEMBL1288716
UNII
9V4S232P62
EC Number
223-184-6
Nikkaji
J217.658K

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
41.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
120 ℃ · 120℃
Boiling point
375.7 · 375.7±27.0 °C(Predicted)
Density
1.294 · 1.294
pka
16.29 · 16.29±0.30(Predicted)
form
solid
InChI
InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H335-H315-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Suppliers20 total

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
上海先诺生物科技有限公司021-50718719 13918719472
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]

Related reactions

95 records
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Linked notes

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5-Chlorotryptamine (HCID 77379)｜Huagongshe