1,3-Dioxolane-4-methanamine, 2,2-dimethyl-

HCID 4122349

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Basic information

CAS: 22195-47-7
Standard SMILES: CC1(C)OCC(CN)O1
InChIKey: HXOYWCSTHVTLOW-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Names & identifiers

Preferred name: 1,3-Dioxolane-4-methanamine, 2,2-dimethyl-
IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
English name: (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
Molecular formula: C6H13NO2
Molecular weight: 131.17

Names & synonyms

1,3-Dioxolane-4-methanamine, 2,2-dimethyl-RefChem:414931628-774-022195-47-72,2-Dimethyl-1,3-dioxolane-4-methanamine(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine(2,2-Dimethyl-[1,3]-dioxolan-4-yl)-methylamineMFCD013213842,2-Dimethyl-1,3-dioxolan-4-methylamine1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamineSCHEMBL4791432,2-dimethyl-1,3-dioxolan-4-methanamine

Show more names

2,2-Dimethyl-1,3-Dioxolane-4-Methanamine97%2,2-DiMethyl-1,3-dioxolane-4-MethanaMine 97%(2,2-DiMethyl-[1,3]-dioxolan-4-YL)-MethanaMine2,2-dimethyl-1,3-dioxypentylcyclo-4-methylamine

STR052452,2-dimethyl-4-aminomethyl-1,3-dioxolaneCS-0080672(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanamineAM90191(R)-4-Aminomethyl-2,2-dimethyl-1,3-dioxolaneFT-0696016(2,2-Dimethyl-[1,3]-dioxolan-4-yl)methylamine

Database identifiers

CAS: 22195-47-7
PubChem CID: 4122349
DTXSID: DTXSID10399553
EC Number: 628-774-0
Nikkaji: J1.790.951G

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 147 · 147-148 °C14 mm Hg(lit.)
Density: 1.012 g/mL · 1.012 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 155 °F · 155 °F
storage temp.: -20 °C · Storage temp. -20°C
form: Liquid
pka: 9.16 · 9.16±0.29(Predicted)
color: Colorless to yellow
InChI: InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3
InChIKey: HXOYWCSTHVTLOW-UHFFFAOYSA-N
SMILES: O1CC(CN)OC1(C)C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
HS Code: 29329900 · 29329900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (72.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (72.2%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29329900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405