3-(Dimethylamino)-1-propanol (HCID 76646)

Overview

dimethylamine precursor

Names & identifiers

Preferred name: 3-(Dimethylamino)-1-propanol
IUPAC: 3-(dimethylamino)propan-1-ol
English name: 3-Dimethylamino-1-propanol
Molecular formula: C5H13NO
Molecular weight: 103.16

Names & synonyms

3179-63-31-Propanol, 3-(dimethylamino)-3-(Dimethylamino)-1-propanolN,N-DimethylpropanolamineDimethylaminopropanol3-(Dimethylamino)propanolDimethylpropanolamine3-(N,N-Dimethylamino)propanol1-Dimethylamino-3-propanolN,N-Dimethyl-3-hydroxypropylamine3-(N,N-Dimethylamino)-1-propanolgamma-(Dimethylamino)propanol

Show more names

3-DIMETHYLAMINOPROPAN-1-OLN,N-DimethylaminopropanolRizatriptan Impurity 163-DIMETHYLAMINO PROPANOL3-Dimehylamino-1-propanol3-(Dimethlyamino)propanol

N,N-Dimethyl-gamma-aminopropanolRZ359222MZNSC-62086DTXSID5062895RefChem:134313DTXCID4038423221-659-23-Dimethylamino-1-propanol

Database identifiers

CAS: 3179-63-3
PubChem CID: 76646
DTXSID: DTXSID5062895
ChEMBL: CHEMBL1209424
UNII: RZ359222MZ
EC Number: 221-659-2
Nikkaji: J80.660I

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 37.1

Experimental & physicochemical properties

Dissociation Constants9.3

Physicochemical properties

Melting point: -35 °C · -35 °C
Boiling point: 163 · 163-164 °C(lit.)
Density: 0.872 g/mL · 0.872 g/mL at 25 °C(lit.)
vapor pressure: 1.56 hPa · 1.56hPa at 20℃
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 97 °F · 97 °F
storage temp.: Flammables area
solubility: Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 15.02 · 15.02±0.10(Predicted)
form: Liquid
color: Clear colorless to yellow
PH: 11.3 · 11.3 (10g/l, H2O, 20℃)
explosive limit: 0.9 · 0.9-11.2%(V)
Water Solubility: miscible
Sensitive: Air Sensitive
BRN: 1732032 · 1732032
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKey: PYSGFFTXMUWEOT-UHFFFAOYSA-N
SMILES: CN(C)CCCO
LogP: -2.59 at · -2.59 at 25℃
Surface tension: 29.01 mN/m · 29.01mN/m at 298.15K
CAS DataBase Reference: 3179 · 3179-63-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 359222 MZ · RZ359222MZ
NIST Chemistry Reference: 1 · 1-Propanol, 3-(dimethylamino)-(3179-63-3)
EPA Substance Registry System: 1 · 1-Propanol, 3-(dimethylamino)- (3179-63-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 312 · H312+H332-H303-H314-H226
Precautionary statements: 501 · P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P362+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,C
Risk Statements: 10 · 10-41-34-22
Safety Statements: 26 · 26-39-45-36/37/39-16
RIDADR: 1987 · UN 1987 3/PG 3
WGK Germany: 1 · 1
RTECS: 3155000 · UB3155000
F: 34 · 34
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29221980 · 29221980
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 186 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Propanol, 3-(dimethylamino)-

Status: Active Update: 05-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12109

3-(Dimethylamino)-1-propanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 34
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: UB3155000
ridadr: UN 1987 3/PG 3
hs_code: 29221980
risk_code: 10-41-34-22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xi,C
safety_code: 26-39-45-36/37/39-16
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H312+H332-H303-H314-H226
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P362+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanol, 3-(dimethylamino)-: ACTIVE

Applications

Uses3-Dimethylamino-1-propanol, is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.