3-(Aminomethyl)-5-methylisoxazole - CAS 154016-48-5

Catalog:	BB010961
Product Name:	3-(Aminomethyl)-5-methylisoxazole
CAS:	154016-48-5
Synonyms:	(5-methyl-3-isoxazolyl)methanamine; (5-methyl-1,2-oxazol-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,2-oxazol-3-yl)methanamine
Description:	3-(Aminomethyl)-5-methylisoxazole (CAS# 154016-48-5) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CC1=CC(=NO1)CN
InChI:	InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3
InChI Key:	AZVWIMLQRLKLHH-UHFFFAOYSA-N
Boiling Point:	75-76 °C (0.4 mmHg)
Density:	1.102 g/cm³
Appearance:	Light yellow liquid
LogP:	1.14200

Publication Number	Title	Priority Date
WO-2021154662-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154663-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154664-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154666-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154668-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127

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Related Functional Groups

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[40279-32-1]
Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3