4-(Aminomethyl)indole - CAS 3468-18-6

Catalog:	BB022237
Product Name:	4-(Aminomethyl)indole
CAS:	3468-18-6
Synonyms:	1H-indol-4-ylmethanamine; 1H-indol-4-ylmethanamine

Technical Data

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Patents

Computed Properties

IUPAC Name:	1H-indol-4-ylmethanamine
Description:	4-(Aminomethyl)indole (CAS# 3468-18-6) is a useful research intermediate used in the preparation of dopamine receptor antagonist.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	C1=CC(=C2C=CNC2=C1)CN
InChI:	InChI=1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
InChI Key:	FFBWKPKOXRMLNP-UHFFFAOYSA-N
Boiling Point:	335.6 °C at 760 mmHg
Density:	0.5 m g/ml at 25°C
Appearance:	Solid
MDL:	MFCD04973297
LogP:	2.32690

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9