1-Boc-2-(aminomethyl)pyrrolidine - CAS 177911-87-4

Catalog:	BB013349
Product Name:	1-Boc-2-(aminomethyl)pyrrolidine
CAS:	177911-87-4
Synonyms:	tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
Description:	1-Boc-2-(aminomethyl)pyrrolidine (CAS# 177911-87-4) is a useful research chemical.
Molecular Weight:	200.28
Molecular Formula:	C10H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC1CN
InChI:	InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChI Key:	SOGXYCNKQQJEED-UHFFFAOYSA-N
Boiling Point:	280.3 °C at 760 mmHg
Purity:	95 %
Density:	1.044 g/cm³
LogP:	1.98280

Publication Number	Title	Priority Date
WO-2020247445-A1	Imidazolo derivatives, compositions and methods as orexin antagonists	20190604
WO-2020247447-A1	Pyrazole and imidazole derivatives, compositions and methods as orexin antagonists	20190604
US-2020079772-A1	Antiviral pyridopyrazinedione compounds	20180912
WO-2020053654-A1	Antiviral pyridopyrazinedione compounds	20180912
WO-2020035052-A1	Pyrazine compounds and uses thereof	20180817

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Related Functional Groups

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[1225940-17-9]
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[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[54716-02-8]
Ethyl (E)-3-(1-pyrrolidinyl)crotonate
[60298-18-2]
Ethyl 5-oxopyrrolidine-3-carboxylate
[98841-68-0]
N-(2-Hydroxybenzoyl)pyrrolidine

GHS Hazard Statement:	H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.152477885
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.152477885
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7