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3817-11-6

3817-11-6 structural image
Product Name: N-N-BUTYL-N-BUTAN-4-OL-NITROSAMINE
Formula: C8H18N2O2
Synonyms: BBN;N-Butyl-N-butan-4-ol-nitrosamine;N-Butyl-N-nitroso-4-aminobutanol;OH-BBN
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 4-hydroxybutylbutylnitrosamine is a dark red liquid. (NTP, 1992)
Solubility 10 to 50 mg/mL at 64 °F (NTP, 1992)
Chemical Classes Nitrogen Compounds -> Nitrosamines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H350:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 174.24 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 174.136827821 g/mol
Monoisotopic Mass 174.136827821 g/mol
Topological Polar Surface Area 52.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 109
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-hydroxybutylbutylnitrosamine is a dark red liquid. (NTP, 1992)