CAS 5813-64-9 Neopentylamine (HCID 79882)

Names & identifiers

Preferred name: Neopentylamine
IUPAC: 2,2-dimethylpropan-1-amine
English name: Neopentylamine
Molecular formula: C5H13N
Molecular weight: 87.16

Names & synonyms

Neopentylamine5813-64-92,2-Dimethyl-1-propylamineNSC-165660988C7435J3DTXSID4022232RefChem:832337DTXCID302232227-378-12,2-dimethylpropan-1-amine2,2-Dimethylpropylamine1-Propanamine, 2,2-dimethyl-

Show more names

PIVALYLAMINENeopentylamine>NEOPENTYLAMINE HCLRARECHEM AL BW 0181NeopentylaMine, 97.0%(GC&T

MFCD000081341-Amino-2,2-dimethylpropaneneo-C5H11NH22,2-dimethyl-propylaminepropane, 1-amino-2,2-dimethyl-2,2-Dimethyl-1-propanamineEINECS 227-378-1NSC 165660

Database identifiers

CAS: 5813-64-9
PubChem CID: 79882
DTXSID: DTXSID4022232
UNII: 988C7435J3
EC Number: 227-378-1
Nikkaji: J150.003A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 33

Physicochemical properties

Melting point: -70 °C · -70°C (estimate)
Boiling point: 83 °C · 83°C
Density: 0.745 · 0.745
refractive index: 1.403 · 1.403
Flash point: -13 °C · -13°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.15 · 10.15(at 25℃)
form: clear liquid
color: Colorless to Almost colorless
InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
SMILES: C(N)C(C)(C)C
CAS DataBase Reference: 5813 · 5813-64-9(CAS DataBase Reference)
FDA UNII: 988 C7435J3 · 988C7435J3
NIST Chemistry Reference: Neopentylamine(5813-64-9)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302-H314
Precautionary statements: 210 · P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P403+P235
Hazard Codes: Xn
Risk Statements: 11 · 11-20/22-35-22
Safety Statements: 3 · 3-16-23-26-36/37/39
RIDADR: 1106 · 1106
WGK Germany: 3 · WGK 3
HazardClass: 3 · 3/8
PackingGroup: II
HS Code: 29211990 · 29211990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
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)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (97.8%)；Acute Tox. 4 (91.3%)；Skin Corr. 1B (97.8%)

Safety data

wgk: WGK 3
ridadr: 1106
hs_code: 29211990
risk_code: 11-20/22-35-22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xn
safety_code: 3-16-23-26-36/37/39
hazard_class: 3/8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H302-H314
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P403+P235

Chemistry & industry

Applications · 1 item

UsesNeopentylamine is an organic amine compound that can be used in alkylation and alkenylation reactions. It is also used in the study of reactions of low-energy isobutylamine and neopentylamine molecular ions, where the main reaction that can transfer the neopentylamine ion is the loss of the C4H7 radical.