Basic information
- CAS
22259-53-6- Standard SMILES
NCc1c[nH]c2ccccc12- InChIKey
JXYGLMATGAAIBU-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439832
Overview
Indol-3-ylmethylamine is an aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. It has a role as a metabolite. It is an aminoalkylindole and an aralkylamino compound. It is a conjugate base of an indol-3-ylmethylamine(1+).
Names & identifiers
- Preferred name
- 1H-Indol-3-Ylmethanamine
- IUPAC
- 1H-indol-3-ylmethanamine
- English name
- (1H-Indol-3-yl)methanamine
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
(1H-Indol-3-yl)methanamine22259-53-61H-indol-3-ylmethanamine3-(aminomethyl)indoleIndole-3-methanamine3-IndoylmethanamineE4P3UW7XBFIndole, 3-(aminomethyl)-DTXSID40332897RefChem:438658DTXCID70283989812-123-4
Show more names
RARECHEM AL BW 03823-Methyl-1H-indol-1-amine
1H-Indole-3-methanamine1H-Indol-3-ylmethylamineIndol-3-ylmethylamine1-(1H-indol-3-yl)methanamineMFCD016312103-aminomethylindoleCHEMBL6509CHEBI:65009
Database identifiers
- CAS
22259-53-6- PubChem CID
- 472107
- DTXSID
DTXSID40332897- ChEMBL
CHEMBL6509- ChEBI
CHEBI:65009- UNII
- E4P3UW7XBF
- EC Number
- 812-123-4
- Nikkaji
- J580.087K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
LogP1.55
Melting Point104 - 107 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 101 · 101-102℃
- Boiling point
- 336 ℃ · 336℃
- Density
- 1.199 · 1.199
- Flash point
- 183 ℃ · 183℃
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- 17.13 · 17.13±0.30(Predicted)
- color
- Brown to reddish brown
- FDA UNII
- 4 P3UW7XBF · E4P3UW7XBF
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (25%)
Safety data
- ridadr
- UN2811
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(1H-Indol-3-yl)methanamine is an indolic Tryptophan-derived metabolite with antifungal defense properties against Arabidopsis mlo2 mutant.
Suppliers77 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
杭州品高化工有限公司0571-87658025 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司
Related reactions
20 records
Compound notes
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