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Substance Name: 1,2-Dimethylpropylamine
RN: 598-74-3
UNII: 1P7J19TM9E
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant
  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C5-H13-N

Molecular Weight

  • 87.1647
 
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Names and Synonyms

Name of Substance

  • 1,2-Dimethylpropylamine

Synonyms

  • 1,2-Dimethylpropanamine
  • 1,2-Dimethylpropylamine
  • 2-04-00-00644 (Beilstein Handbook Reference)
  • 3-Methyl-2-butanamine
  • BRN 0635656
  • EINECS 209-949-7
  • iso-Amylamine
  • UNII-1P7J19TM9E

Systematic Names

  • 1,2-Dimethylpropylamine
  • 2-Butanamine, 3-methyl-
  • Propylamine, 1,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 598-74-3

FDA UNII

  • 1P7J19TM9E

Other Registry Number

  • 110509-11-0

System Generated Number

  • 0000598743

Structure Descriptors

InChI

1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3

InChIKey

JOZZAIIGWFLONA-UHFFFAOYSA-N

Smiles

C([C@@H](C)N)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 279mg/kg (279mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Japanese Journal of Pharmacology. Vol. 17, Pg. 475, 1967.
rabbit LD50 skin 810uL/kg (0.81mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0536386,
rat LD50 oral 510uL/kg (0.51mL/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0536386,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+01 deg C   EXP
Boiling Point 85.5 deg C   EXP
log P (octanol-water) 1.180 (none)   EST
Atmospheric OH Rate Constant 4.61E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.