1-Boc-piperidine-3-carboxaldehyde - CAS 118156-93-7

Catalog:	BB004059
Product Name:	1-Boc-piperidine-3-carboxaldehyde
CAS:	118156-93-7
Synonyms:	3-formyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-formylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-formylpiperidine-1-carboxylate
Description:	1-Boc-piperidine-3-carboxaldehyde (CAS# 118156-93-7) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)C=O
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h8-9H,4-7H2,1-3H3
InChI Key:	CTVHINDANRPFIL-UHFFFAOYSA-N
Boiling Point:	295.4 °C at 760 mmHg
Density:	1.114 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.77030

Publication Number	Title	Priority Date
WO-2021081272-A1	Progranulin modulators and methods of using the same	20191025
WO-2021053158-A1	Novel histone methyltransferase inhibitors	20190918
CN-110563535-A	method for synthesizing 1, 2-disubstituted olefin compound by alkyne alkylation	20190828
CN-112321590-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists	20190802
WO-2021023105-A1	Imidazo[2,1-f][1,2,4]triazin-4-amine derivative used as tlr8 agonist	20190802

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GHS Hazard Statement:	H302 (16.67%): 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:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1