1-Boc-3-aminopyrrolidine - CAS 186550-13-0

Catalog:	BB014336
Product Name:	1-Boc-3-aminopyrrolidine
CAS:	186550-13-0
Synonyms:	tert-butyl 3-aminopyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-aminopyrrolidine-1-carboxylate
Description:	1-Boc-3-aminopyrrolidine (CAS# 186550-13-0) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C9H18N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)N
InChI:	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3
InChI Key:	CMIBWIAICVBURI-UHFFFAOYSA-N
Boiling Point:	257.4 °C at 760 mmHg
Purity:	97.0 %
Density:	1.067 g/cm³
MDL:	MFCD01861220
LogP:	1.59270

Publication Number	Title	Priority Date
CN-112851587-A	Alkyne heterocyclic compound for treating cancer and preparation method and application thereof	20210121
CN-111675661-A	Diaryl pyrimidine HIV-1 reverse transcriptase inhibitor containing trans double bond and preparation method and application thereof	20200628
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CN-111808007-A	Preparation method of chiral 3-substituted pyrrolidine derivative	20200623
WO-2021207554-A1	Compounds and methods for modulating splicing	20200408

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Related Functional Groups

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Pyrrolidines

[18471-41-5]
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[1096881-75-2]
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[5724-76-5]
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[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[1627185-88-9]
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1-(5-Bromopentyl)pyrrolidine Hydrobromide

GHS Hazard Statement:	H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	198
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:	2
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4