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N,N-Dimethylisopropylamine

HCID 70452
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
996-35-0
Standard SMILES
CC(C)N(C)C
InChIKey
VMOWKUTXPNPTEN-UHFFFAOYSA-N
Molecular formula
C5H13N
Average molar mass
87.16 g/mol
Monoisotopic mass
87.10479942

Names & identifiers

Preferred name
N,N-Dimethylisopropylamine
IUPAC
N,N-dimethylpropan-2-amine
English name
N,N-Dimethylisopropylamine
Molecular formula
C5H13N
Molecular weight
87.16

Names & synonyms

N,N-Dimethylisopropylamine996-35-0Dimethylisopropylamine2-Propanamine, N,N-dimethyl-IsopropyldimethylamineEthylamine, N,N,1-trimethyl-2-DimethylaminopropaneDTXSID2033447WA4TE070J7EINECS 213-635-5DTXCID0013447EC 213-635-5
Show more names
N,N-Dimethyl-2-propanamineATOFINA DMIPA(CH3)2(i-C3H7)NN,N-DIMETHYLISOPROPYIsopropyl-dimethyl-amine
RefChem:822613213-635-5InChI=1/C5H13N/c1-5(2)6(3)4/h5H,1-4HN,N-dimethylpropan-2-amineN-IsopropyldimethylamineN,N-DimethyllisopropylamineDMIPAdimethyl-isopropyl-amine

Database identifiers

CAS
996-35-0
PubChem CID
70452
DTXSID
DTXSID2033447
ChEMBL
CHEMBL1524256
UNII
WA4TE070J7
EC Number
213-635-5
Nikkaji
J149.687E

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Formal charge
0
Complexity
30.9

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionLiquid

Physicochemical properties

Melting point
-115.88 °C · -115.88°C (estimate)
Boiling point
65.5 °C752 · 65.5 °C752 mm Hg(lit.)
Density
0.715 g/mL · 0.715 g/mL at 25 °C(lit.)
vapor pressure
18.99 kPa · 18.99kPa at 20℃
refractive index
20 · n20/D 1.3905(lit.)
Flash point
-9 °C · -9 °C
storage temp.
30 °C · Store below +30°C.
form
clear liquid
pka
9.91 · 9.91±0.50(Predicted)
color
Colorless to Almost colorless
PH
11.5 · 11.5 (100g/l, H2O, 20℃)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Propanamine, N,N-dimethyl-

2-Propanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N,N-dimethyl- 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)

REACH registered substance: N,N-dimethylisopropylamine (EC: 213-635-5)

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

7.2 [mg/m3]

23 [mg/m3]

140 [mg/m3]

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
2

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

2-Propanamine, N,N-dimethyl-: ACTIVE

Applications · 2 items

UsesN,N-Dimethylisopropylamine (DMIPA) is an acyclic tertiary amine. The protonation of DMIPA lead to the efficient migration of its methyl group to other nitrogen-containing compounds in the gas phase.N,N-Dimethylisopropylamine may be used as an alkylating agent in the preparation of N-methylaniline via palladium catalyzed N-methylation of aniline under microwave condition. It may also be used to prepare a hypergolic ionic liquid by reacting with hydrazoic acid.

General DescriptionN,N-Dimethylisopropylamine may be used as an alkylating agent in the preparation of N-methylaniline via palladium catalyzed N-methylation of aniline under microwave condition. It may also be used to prepare a hypergolic ionic liquid by reacting with hydrazoic acid.

Related reactions

3 records
New reaction record
HRID 1803800 reaction equation
HRID 1803800As reactantuspto-grants-2013_01
HRID 2212459 reaction equation
HRID 2212459As reactantuspto-grants-2006_09
HRID 2427480 reaction equation
HRID 2427480As reactantuspto-grants-2011_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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explosive limit
1 · 1.0-8.1%(V)
Water Solubility
100 g/L · 100g/L at 25℃
BRN
1696929 · 1696929
Henry's Law Constant
7.9 · 7.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Stability
Stable. Highly flammable. Incompatible with strong oxidizing agents.
InChI
1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3
InChIKey
VMOWKUTXPNPTEN-UHFFFAOYSA-N
SMILES
CC(C)N(C)C
LogP
0.89 at · 0.89 at 25℃
CAS DataBase Reference
996 · 996-35-0(CAS DataBase Reference)
FDA UNII
4 TE070J7 · WA4TE070J7
EPA Substance Registry System
2 · 2-Propanamine, N,N-dimethyl- (996-35-0)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS05,GHS06,GHS09
Signal word
Danger
Hazard statements
225 · H225-H302-H314-H331-H335-H411
Precautionary statements
210 · P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs
Respiratory system
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
F,C,N
Risk Statements
11 · 11-34-51/53-20/22
Safety Statements
16 · 16-26-29-36/37/39-45-61
RIDADR
2733 · UN 2733 3/PG 2
WGK Germany
2 · 2
TSCA
TSCA listed
HazardClass
3.1 · 3.1
PackingGroup
II
HS Code
29211990 · 29211990
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1ASTOT SE 3
REACH Registrations
Active
Limited Quantities
1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
tsca
TSCA listed
ridadr
UN 2733 3/PG 2
hs_code
29211990
risk_code
11-34-51/53-20/22
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS06,GHS09
hazard_code
F,C,N
safety_code
16-26-29-36/37/39-45-61
hazard_class
3.1
Storage Class
3 - Flammable liquids
packing_group
II
target organs
Respiratory system
Hazard statements
H225-H302-H314-H331-H335-H411
Limited Quantities
1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations
Active
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1ASTOT SE 3
Precautionary statements
P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338