Cadaverine dihydrochloride - CAS 1476-39-7
Catalog: |
BB010222 |
Product Name: |
Cadaverine dihydrochloride |
CAS: |
1476-39-7 |
Synonyms: |
pentane-1,5-diamine;dihydrochloride |
IUPAC Name: | pentane-1,5-diamine;dihydrochloride |
Description: | Cadaverine dihydrochloride (CAS# 1476-39-7) is a useful research chemical. |
Molecular Weight: | 175.10 |
Molecular Formula: | C5H16Cl2N2 |
Canonical SMILES: | C(CCN)CCN.Cl.Cl |
InChI: | InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H |
InChI Key: | FGNLEIGUMSBZQP-UHFFFAOYSA-N |
Boiling Point: | 179 °C at 760 mmHg |
Melting Point: | 260-262 °C (lit.) |
Purity: | > 98.0 % (N) |
Density: | 1.03 g/mL at 20 °C |
Appearance: | Beige powder |
Storage: | 2-8 °C |
MDL: | MFCD00012527 |
LogP: | 3.07870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16823213 | 20060701 | Cadaverinium dichloride: a case of centro-non-centrosymmetric ambiguity | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 25.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0690539 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0690539 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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