3-Methyl-5-(2-pyrrolidinyl)isoxazole - CAS 851434-82-7

Catalog:	BB037505
Product Name:	3-Methyl-5-(2-pyrrolidinyl)isoxazole
CAS:	851434-82-7
Synonyms:	3-methyl-5-pyrrolidin-2-yl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-5-pyrrolidin-2-yl-1,2-oxazole
Description:	3-Methyl-5-(2-pyrrolidinyl)isoxazole (CAS# 851434-82-7) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C8H12N2O
Canonical SMILES:	CC1=NOC(=C1)C2CCCN2
InChI:	InChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChI Key:	PJMAXCRZQLWZFH-UHFFFAOYSA-N
Boiling Point:	267.7 °C at 760 mmHg
Density:	1.077 g/cm³
MDL:	MFCD10001571
LogP:	1.73630

Publication Number	Title	Priority Date
WO-2020104822-A1	Compounds	20181123
CN-113056305-A	Compound (I)	20181123
EP-3883650-A1	Compounds	20181123
KR-20210095647-A	compound	20181123
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.094963011
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7