1,7-Diaminoheptane - CAS 646-19-5

Name: 1,7-Diaminoheptane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032519
Product Name:	1,7-Diaminoheptane
CAS:	646-19-5
Synonyms:	heptane-1,7-diamine

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Computed Properties

IUPAC Name:	heptane-1,7-diamine
Description:	1,7-Diaminoheptane (CAS# 646-19-5) is used in preparation of semi-aromatic copolymerized polyamide.
Molecular Weight:	130.23
Molecular Formula:	C7H18N2
Canonical SMILES:	C(CCCN)CCCN
InChI:	InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
InChI Key:	PWSKHLMYTZNYKO-UHFFFAOYSA-N
Boiling Point:	223-225 °C (lit.)
Melting Point:	26-29 °C (lit.)
Flash Point:	190 °F
Purity:	> 98.0 % (GC) (T)
Density:	0.86 g/cm³
Appearance:	White or colorless to almost white or almost colorless powder to lump to clear liquid
MDL:	MFCD00008246
LogP:	2.25490
Refractive Index:	1.4590

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113429565-A	High-toughness semi-aromatic polyamide resin and preparation method thereof	20210629
CN-113185661-A	Catechol group-containing biomass mussel bionic polybenzoxazine and synthesis method and application thereof	20210412
CN-112851933-A	Meta-xylylenediamine type high-temperature nylon and preparation method thereof	20210407
CN-113045753-A	Copolymerized polyamide material and application and composition thereof	20210311
CN-113072698-A	Antibacterial high-temperature-resistant polyamide and synthesis method thereof	20210309

PMID	Publication Date	Title	Journal
22708846	20120711	Water-induced folding of 1,7-diammoniumheptane	Journal of the American Chemical Society
22997699	20120501	[Design and synthesis of dipeptide mimetics of brain-derived neurotrophic factor]	Bioorganicheskaia khimiia
22529847	20120101	Strains of Staphylococcus and Bacillus isolated from traditional sausages as producers of biogenic amines	Frontiers in microbiology
22536149	20120101	Zinc oxide nanoparticles catalyzed condensation reaction of isocoumarins and 1,7-heptadiamine in the formation of bis-isoquinolinones	TheScientificWorldJournal
22220024	20111101	Heptane-1,7-diaminium dinitrate	Acta crystallographica. Section E, Structure reports online

Complexity:	40.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.146998583
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.146998583
Rotatable Bond Count:	6
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3