CAS 102-83-0 3-(Dibutylamino)propylamine (HCID 1626)

Names & identifiers

Preferred name: 3-(Dibutylamino)propylamine
IUPAC: N',N'-dibutylpropane-1,3-diamine
English name: N,N-Dibutyl-1,3-propanediamine
Molecular formula: C11H26N2
Molecular weight: 186.34

Names & synonyms

102-83-03-(Dibutylamino)propylamineN,N-Dibutyl-1,3-propanediamineN,N-Dibutyltrimethylenediamine1,3-Propanediamine, N1,N1-dibutyl-N,N-Dibutylaminopropylamine3-Aminopropyldibutylamine1,3-PROPANEDIAMINE, N,N-DIBUTYL-NSC 6333N,N-Dibutyl-1,3-diaminopropaneEINECS 203-059-2BRN 0635829

Show more names

DBAPAN1,N1-Dibutylpropane-1,3-diaMineRARECHEM AL BW 1134DibutylaMino)propylaMinDIBUTYLAMINO PROPYLAMINEDibutylanino 1-Propylaminen,n-dibutyl-3-propanediamine

3-(Dibutylamino)-1-propylamineAI3-254373SFY0J0731NSC-6333NSC-7777DTXSID80592614-04-00-01262 (Beilstein Handbook Reference)N-AMINOPROPYL-N,N-DIBUTYLAMINE

Database identifiers

CAS: 102-83-0
PubChem CID: 1626
DTXSID: DTXSID8059261
ChEMBL: CHEMBL534299
UNII: 3SFY0J0731
EC Number: 203-059-2
Nikkaji: J35.158J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 86.1

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: -50 °C · -50 °C
Boiling point: 205 °C · 205 °C(lit.)
Density: 0.827 g/mL · 0.827 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4463(lit.)
Flash point: 219 °F · 219 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 10.17 · 10.17±0.10(Predicted)
color: Colorless to Light yellow
Water Solubility: 10 G/L · 10 G/L (20 ºC)
Sensitive: Air Sensitive
BRN: 635829 · 635829
InChI: 1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
InChIKey: KYCGURZGBKFEQB-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)CCCN
CAS DataBase Reference: 102 · 102-83-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 SFY0J0731 · 3SFY0J0731
NIST Chemistry Reference: 1 · 1,3-Propanediamine, N,N-dibutyl-(102-83-0)
EPA Substance Registry System: 1 · 1,3-Propanediamine, N,N-dibutyl- (102-83-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2922 · UN 2922 8/PG 3
WGK Germany: 3 · 3
RTECS: 7175000 · TX7175000
TSCA: TSCA listed
HS Code: 2921.29 · 2921.29.0055
HazardClass: 8 · 8
PackingGroup: II
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
Toxicity: 50 · rabbit,LD50,skin,270uL/kg (0.27mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

1,3-Propanediamine, N1,N1-dibutyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1-dibutyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,3-Propanediamine, N,N-dibutyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: TX7175000
ridadr: UN 2922 8/PG 3
hs_code: 2921.29.0055
Toxicity: rabbit,LD50,skin,270uL/kg (0.27mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: II
Hazard statements: H302-H311-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb

Consumer UsesOther

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

1,3-Propanediamine, N1,N1-dibutyl-: ACTIVE

Applications

UsesN,N-DIBUTYL-1,3-PROPANEDIAMINE can be used to synthesize dichloroacetonitrile and pharmaceutical intermediates, and can be used as a feed additive for cattle and sheep, as well as a preservative for fresh cattle, sheep, and pig skin.