1-Boc-2-aminomethylpiperidine - CAS 370069-31-1

Catalog:	BB023167
Product Name:	1-Boc-2-aminomethylpiperidine
CAS:	370069-31-1
Synonyms:	tert-butyl 2-(aminomethyl)piperidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 2-(aminomethyl)piperidine-1-carboxylate
Description:	1-Boc-2-aminomethylpiperidine (CAS# 370069-31-1) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCCC1CN
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8,12H2,1-3H3
InChI Key:	PTVRCUVHYMGECC-UHFFFAOYSA-N
Boiling Point:	299.4 °C at 760 mmHg
Purity:	97 %
Density:	1.0124 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD01317791
LogP:	2.37290

Publication Number	Title	Priority Date
CN-110872277-A	N-substituted aromatic ring-2-aminopyrimidine compounds and application thereof	20191114
CN-110872277-B	N-substituted aromatic ring-2-aminopyrimidine compounds and application thereof	20191114
WO-2020117974-A1	Compounds and compositions for eye treatments	20181204
EP-3890741-A1	Compounds and compositions for eye treatments	20181204
KR-20210113608-A	Compounds and compositions for the treatment of eyes	20181204

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GHS Hazard Statement:	H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1