1-Boc-3-(aminomethyl)azetidine - CAS 325775-44-8

Catalog:	BB021335
Product Name:	1-Boc-3-(aminomethyl)azetidine
CAS:	325775-44-8
Synonyms:	3-(aminomethyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(aminomethyl)azetidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(aminomethyl)azetidine-1-carboxylate
Description:	1-Boc-3-(aminomethyl)azetidine (CAS# 325775-44-8) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C9H18N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)CN
InChI:	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6,10H2,1-3H3
InChI Key:	XSJPKMUFBHSIRA-UHFFFAOYSA-N
Boiling Point:	260.583 °C at 760 mmHg
Density:	1.07 g/cm³
MDL:	MFCD01861762
LogP:	1.45020

Publication Number	Title	Priority Date
CN-113149977-A	Synthesis and application of respiratory syncytial virus inhibitor	20200122
WO-2021147947-A1	Synthesis and use of class of respiratory syncytial virus inhibitors	20200122
WO-2021148420-A1	Novel heterocyclic compounds	20200122
WO-2021113368-A1	Sstr5 antagonists	20191203
WO-2021071837-A1	Gpr119 agonists	20191007

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.136827821
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2