(S)-(-)-1-Boc-3-aminopyrrolidine - CAS 147081-44-5

Catalog:	BB010154
Product Name:	(S)-(-)-1-Boc-3-aminopyrrolidine
CAS:	147081-44-5
Synonyms:	(3S)-3-amino-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
Description:	(S)-(-)-1-Boc-3-aminopyrrolidine (CAS# 147081-44-5) 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/t7-/m0/s1
InChI Key:	CMIBWIAICVBURI-ZETCQYMHSA-N
Boiling Point:	216-217 °C
Density:	1.067 g/cm³
MDL:	MFCD03419271
LogP:	1.59270

Publication Number	Title	Priority Date
CN-112574200-A	Small molecule inhibitors of BTK and/or mutant C481S of BTK	20210226
CN-112574200-B	Small molecule inhibitors of BTK and/or mutant C481S of BTK	20210226
CN-112094268-A	Compound WEZ series, preparation method thereof and application of compound WEZ series in preparation of medicines	20201109
CN-112094268-B	Compound WEZ series, preparation method thereof and application of compound WEZ series in preparation of medicines	20201109
CN-112250666-A	Substituted pyrimidines and their use	20201009

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H301 (85.42%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4