N-Cyclohexyl-1,3-propanediamine - CAS 3312-60-5

Name: N-Cyclohexyl-1,3-propanediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021570
Product Name:	N-Cyclohexyl-1,3-propanediamine
CAS:	3312-60-5
Synonyms:	N'-cyclohexylpropane-1,3-diamine

Technical Data

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Computed Properties

IUPAC Name:	N'-cyclohexylpropane-1,3-diamine
Description:	N-Cyclohexyl-1,3-propanediamine (CAS# 3312-60-5) is a competitive inhibitor of spermine and spermidine synthases.
Molecular Weight:	156.27
Molecular Formula:	C9H20N2
Canonical SMILES:	C1CCC(CC1)NCCCN
InChI:	InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
InChI Key:	ITZPOSYADVYECJ-UHFFFAOYSA-N
Boiling Point:	120-123 °C / 20 mmHg (lit.)
Purity:	> 97 %
Density:	0.917 g/cm³
Appearance:	Pale yellow clear liquid
MDL:	MFCD00003838
LogP:	2.34870

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (70.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3839043-A1	Screening methods for compounds modulating polyamine transport	20191220
EP-3838981-A1	Reactive resin component, reactive resin system containing the same and use thereof	20191218
WO-2021122102-A1	Reactive resin component, reactive resin system containing same and use thereof	20191218
EP-3835378-A1	Two component (2k) curable adhesive composition	20191213
EP-3835383-A1	One component (1k) curable adhesive composition	20191213

PMID	Publication Date	Title	Journal
21809076	20120201	Polyamine metabolism is involved in adipogenesis of 3T3-L1 cells	Amino acids
22090862	20110801	Dichlorido[2-({[3-(cyclo-hexyl-aza-nium-yl)prop-yl]imino}-meth-yl)-5-meth-oxy-phenolate]zinc	Acta crystallographica. Section E, Structure reports online
20387092	20100801	Polymer resins for recovery of valuable metals	Environmental geochemistry and health
19875898	20090101	Spermidine regulates insulin synthesis and cytoplasmic Ca(2+) in mouse beta-TC6 insulinoma cells	Cell structure and function
18451553	20080501	Preparation, characterization and in vitro anticancer activity of platinum(II) complexes with N-Cyclohexyl-1,3-propanediamine as the carrier	Chemical & pharmaceutical bulletin

Complexity:	87.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.162648646
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.162648646
Rotatable Bond Count:	4
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6