CAS 110-60-1 1,4-Diaminobutane - Materials / Alfa Chemistry

NAVIGATION

1,4-Diaminobutane

PRICE INQUIRY

Catalog Number

ACM110601

CAS Number

110-60-1

Product Name

1,4-Diaminobutane

Structure

Category

Monomers

Synonyms

1,4-butanediamine

Description

Solid

IUPAC Name

butane-1,4-diamine

Molecular Weight

88.15

Molecular Formula

C4H12N2

Canonical SMILES

C(CCN)CN

InChI

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

InChI Key

KIDHWZJUCRJVML-UHFFFAOYSA-N

Boiling Point

158.5 °C;158.5 °C

Melting Point

27.5 °C;27.5 °C;27.5°C

Density

0.877 g/cu cm at 25 °C

Solubility

Soluble in water with strongly basic reaction;Very soluble in water;Miscible with water /assigned value 1X10+6 mg/L at 25 °C/ (est)

Color/Form

Colorless oil;Colorless crystals;Leaflets

Complexity

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

203-782-3

Exact Mass

88.1000

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

-0.7 (LogP);log Kow = -3.42;-0.70

MeSH Entry Terms

1,4 Butanediamine;1,4 Diaminobutane;1,4-Butanediamine;1,4-Diaminobutane;Putrescine;Tetramethylenediamine

Monoisotopic Mass

88.1000

NSC Number

60545

Odor

Strong piperidine-like odor

Other Experimental

Crystals on cooling;When heated to decompoistion it emits toxic fumes of NOx.;Crystals from 85% alcohol, mp >275 °C /Putrescine hydrochloride/;Henry's Law constant = 3.54X10-10 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 6.62X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.4969 at 20 °C/D

Rotatable Bond Count

Topological Polar Surface Area

52 Å²

UNII

V10TVZ52E4

Vapor Pressure

2.33 mm Hg at 25 °C (est)

XLogP3

-0.9

MSDS