Dimepranol

HCID 37511CAS 108-16-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(O)CN(C)C
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
Molecular formula: C5H13NO
Average molar mass: 103.16 g/mol
Monoisotopic mass: 103.09971404

Names & identifiers

Preferred name: Dimepranol
IUPAC: 1-(dimethylamino)propan-2-ol
English name: 1-Dimethylamino-2-propanol
Molecular formula: C5H13NO
Molecular weight: 103.16

Names & synonyms

108-16-7Dimepranol1-(Dimethylamino)propan-2-ol1-(Dimethylamino)-2-propanolDimethylisopropanolamineN,N-DimethylisopropanolamineDimethyl(2-hydroxypropyl)amine2-PROPANOL, 1-(DIMETHYLAMINO)-Dimepranol [INN]N,N-Dimethyl-2-hydroxypropylamineDimepranolumN,N-(Dimethylamino)-2-propanol

Show more names

INNDIMETHYLAMINO-2-PROPANOL1-Dimethylamino-2-propanol,N,N-DimethylisopropanolamineDMA 2P1-DimethyLBisoMer AMine D 7001-Dimethylamino-2-pr

1,1-Dimethylaminopropanol-22-Propanol, 1,1-(dimethylamino)-DTXSID5031210Dimepranolum [INN-Latin]NSC 31632-(Dimethylamino)-1-methylethanolEINECS 203-556-4n,n-dimethylamino-2-propanol

Database identifiers

CAS: 108-16-7
PubChem CID: 37511
DTXSID: DTXSID5031210
ChEMBL: CHEMBL3186209
UNII: OX17195H4T
EC Number: 203-556-4
Nikkaji: J112.300I

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 45.3

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree

DrugsPharmaceuticals

Physical DescriptionLiquid

Physicochemical properties

Melting point: -85 °C · -85 °C
Boiling point: 96 °C · 96 °C
Density: 0.913 g/mL · 0.913 g/mL at 25 °C
vapor density: 3.6 · 3.6 (vs air)
vapor pressure: 8 mm · 8 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.42
Flash point: 96 °F · 96 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Methanol (Soluble)
form: Liquid
pka: 14.95 · 14.95±0.20(Predicted)
color: Clear colorless to yellow
PH: 11 · 11 (100g/l, H2O, 20℃)
explosive limit: 2.7 · 2.7-11.1%(V)
Water Solubility: miscible
Sensitive: Air Sensitive
BRN: 1209244 · 1209244
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, amines, acids.
Cosmetics Ingredients Functions: BUFFERING
InChI: 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
SMILES: CC(O)CN(C)C
LogP: -0.12 at · -0.12 at 23℃
CAS DataBase Reference: 108 · 108-16-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 17195 H4T · OX17195H4T
NIST Chemistry Reference: 2 · 2-Propanol, 1-(dimethylamino)-(108-16-7)
EPA Substance Registry System: 2 · 2-Propanol, 1-(dimethylamino)- (108-16-7)
UNSPSC Code: 12352104 · 12352104
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312-H314-H226
Precautionary statements: 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-22-34
Safety Statements: 26 · 26-36/37/39-45-36-23
RIDADR: 2734 · UN 2734 8/PG 2
WGK Germany: 1 · 1
RTECS: 3150000 · UB3150000
F: 10 · 10-34
Autoignition Temperature: 225 °C · 225 °C
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
Toxicity: 50 orally · LD50 orally in Rabbit: 1360 mg/kg
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

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

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+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 5 items

Chemical: 2-Propanol, 1-(dimethylamino)-

2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- 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)

Status: Active Update: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12061

1-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 4 items

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flammable agents - 3rd degree

Flam. Liq. 3

Safety data

F: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: UB3150000
ridadr: UN 2734 8/PG 2
hs_code: 29221980
Toxicity: LD50 orally in Rabbit: 1360 mg/kg
risk_code: 10-22-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45-36-23
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H302+H312-H314-H226
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
Autoignition Temperature: 225 °C
Precautionary statements: P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >50

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

2-Propanol, 1-(dimethylamino)-: ACTIVE

Applications · 2 items

Uses1-Dimethylamino-2-propanol is one of the compounds used to identify the illegal manufacture of methadone.cv

General Description1-Dimethylamino-2-propanol (1DMA2P, DMAPH), a tertiary amine, is a dimethylamino-alcohol having high boiling point. It is a potent protector against mechlorethamine cytotoxicity and inhibitor of choline uptake. Kinetics of homogeneous reaction of carbon dioxide (CO2) with 1-dimethylamino-2-propanol in water has been investigated using stopped-flow technique.