3-(Aminomethyl)-1-methyl-1H-indazole - CAS 739359-10-5

Catalog:	BB034954
Product Name:	3-(Aminomethyl)-1-methyl-1H-indazole
CAS:	739359-10-5
Synonyms:	(1-methyl-3-indazolyl)methanamine; (1-methylindazol-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(1-methylindazol-3-yl)methanamine
Description:	1-Methyl-1H-indazole-3-methanamine was used in the study of a small-molecule probe induced conformation in HIV TAR RNA capable of binding drug-like fragments.
Molecular Weight:	161.20
Molecular Formula:	C9H11N3
Canonical SMILES:	CN1C2=CC=CC=C2C(=N1)CN
InChI:	InChI=1S/C9H11N3/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6,10H2,1H3
InChI Key:	SNWIPUWAHWNMKG-UHFFFAOYSA-N
Boiling Point:	312.451 °C at 760 mmHg
Density:	1.224 g/cm³
MDL:	MFCD08271877
LogP:	1.73230

Publication Number	Title	Priority Date
US-2018094086-A1	Near infrared absorbing composition, near infrared cut filter, method of manufacturing near infrared cut filter, device, method of manufacturing copper-containing polymer, and copper-containing polymer	20150624
AU-2014304046-A1	Benzimidazolyl-methyl urea derivatives as ALX receptor agonists	20130809
CA-2917954-A1	Benzimidazolyl-methyl urea derivatives as alx receptor agonists	20130809
EP-3030560-B1	Benzimidazolyl-methyl urea derivatives as alx receptor agonists	20130809
ES-2641172-T3	Benzimidazolyl-methyl urea derivatives as ALX receptor agonists	20130809

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.095297364
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5