1-Methylpiperidine-4-carbaldehyde - CAS 50675-21-3

Catalog:	BB027178
Product Name:	1-Methylpiperidine-4-carbaldehyde
CAS:	50675-21-3
Synonyms:	1-methyl-4-piperidinecarboxaldehyde; 1-methylpiperidine-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1-methylpiperidine-4-carbaldehyde
Description:	1-Methylpiperidine-4-carbaldehyde (CAS# 50675-21-3) is a useful research chemical.
Molecular Weight:	127.18
Molecular Formula:	C7H13NO
Canonical SMILES:	CN1CCC(CC1)C=O
InChI:	InChI=1S/C7H13NO/c1-8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H3
InChI Key:	LKIYWJKEOOFVCV-UHFFFAOYSA-N
Boiling Point:	173.137 °C at 760 mmHg
Density:	1.025 g/cm³
MDL:	MFCD08060051
LogP:	0.46500

Publication Number	Title	Priority Date
CN-112635804-A	Alkaline anion exchange membrane for fuel cell and preparation method thereof	20210115
WO-2021101620-A1	Broad-spectrum carbapenems	20191121
US-2021087169-A1	Novel substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof	20190923
US-2020377510-A1	Derivatives of piperlongumine and uses thereof	20190530
CN-111606908-A	JAK inhibitor compounds and uses thereof	20190225

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GHS Hazard Statement:	H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	95.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2