N,N'-Di-sec-butyl-p-phenylenediamine

Name: N,N'-Di-sec-butyl-p-phenylenediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C14H24N2

Molecular Weight:

220.35

CAS Number:

101-96-2

Catalog Number:

101-96-2

Product Information

Molecular Formula:

C14H24N2

Molecular Weight:

220.35

Description

N,N'-Di-sec-butyl-p-phenylenediamine (CAS# 101-96-2) is used in method for preparing polyurethane adhesive.

Synonyms

1-N,4-N-di(butan-2-yl)benzene-1,4-diamine

IUPAC Name

1-N,4-N-di(butan-2-yl)benzene-1,4-diamine

Canonical SMILES

CCC(C)NC1=CC=C(C=C1)NC(C)CC

InChI

InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3

InChI Key

FSWDLYNGJBGFJH-UHFFFAOYSA-N

Boiling Point

159 °C / 7 mmHg

Melting Point

17.8 °C

Flash Point

180 °C

Density

0.942 g/cm³

Solubility

less than 1 mg/mL at 68 °F

Appearance

Amber to red or dark reddish black liquid.

Application

Used in gasoline (gum inhibitor, antioxidant, and stabilizer) and styrene-butadiene rubbers (antioxidant and antiozonant).

Storage

Keep in a well ventilated area. Keep container tightly closed.

Refractive Index

1.54

LogP

4.25340

Vapor Pressure

85.3 mmHg at 100 °F

Safety Information

Hazards

H301:
Toxic if swallowed.
H314:
Causes severe skin burns and eye damage.
H317:
May cause an allergic skin reaction.
H410:
Very toxic to aquatic life with long-lasting effects.

Precautionary Statement

P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P333+P313, P361, P363, P391, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

4.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

220.193948774 g/mol

Monoisotopic Mass

220.193948774 g/mol

Topological Polar Surface Area

24.1Å²

Heavy Atom Count

Formal Charge

Complexity

154

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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