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Heptane-1,7-diamine

CAT: 0572-TRC-H998635-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H998635-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
646-19-5
Synonyms
(7-Aminoheptyl)amine; 1,7-Diamino-n-heptane; 1,7-Diaminoheptane; 1,7-Heptamethylenediamine; 1,9-Diazanonane; Heptamethylenediamine; NSC 45777;alpha,ω-Heptanediamine;
Hazard Statement
Harmful if swallowed; UN number: UN3259; Packing Group: II
Purity
>95% (HPLC)
Smiles
NCCCCCCCN
Molecular Formula
C7H18N2
Molecular Weight
130.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,7-Heptanediamine
CAS Number646-19-5
PubChem CID69533
IUPAC Nameheptane-1,7-diamine
Molecular FormulaC7H18N2
Molecular Weight130.23
XLogP0.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity40
SMILES
C(CCCN)CCCN
InChI
InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
InChIKey
PWSKHLMYTZNYKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Heptanediamine
CAS: 646-19-5
CID: 69533
Formula: C7H18N2
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass130.146998583
Monoisotopic Mass130.146998583
Topological Polar Surface Area52 Ų
Heavy Atom Count9
Formal Charge0
Complexity40.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RG-H051619-01Heptane-1,7-Diamine
OR1101-01Heptane-1,7-diamine, N-BOC protected
OR53104Heptane-1,7-diol
RG-T052075-01Tetraethyl Heptane-1,1,7,7-Tetracarboxylate
AR-M03090-01Heptane-1,1,7,7-tetracarboxilic acid
UJA21996-01Isoquinoline-1,7-diamine
OR1103222-01Bicyclo[2.2.1]heptane-1,4-diamine dihydrochloride
FSD25336-01Bicyclo[2.2.1]heptane-1,2-diamine dihydrochloride
GTR19351429-011-Isothiocyanato-7- (methylsulfonyl) -heptane
OR10040-01Diethyl heptane-1,7-dioate

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