Cumylamine

HCID 68509

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Basic information

CAS: 585-32-0
Standard SMILES: CC(C)(N)c1ccccc1
InChIKey: KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular formula: C9H13N
Average molar mass: 135.21 g/mol
Monoisotopic mass: 135.10479942

Names & identifiers

Preferred name: Cumylamine
IUPAC: 2-phenylpropan-2-amine
English name: 2-phenylpropan-2-amine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

Cumylamine585-32-0Benzenemethanamine, alpha,alpha-dimethyl-DTXSID20207216RefChem:1082326DTXCID20129707670-821-22-phenylpropan-2-amine2-phenyl-2-propanaminealpha,alpha-DimethylbenzylamineMFCD001346801-methyl-1-phenylethylamine

Show more names

Cumylamine ,98%PHENYLISOPROPYLAMINEa,a-DimethylbenzylamineAKOS BC-0985Cumylamine >2-Phenylisopropylamine2-phenyl-2-propylamine

alpha,alpha-Dimethylbenzenemethanamine1-methyl-1-phenyl-ethylamineNSC-661562-phenylpropane-2-aminecumyl aminephenisopropyl amineNSC66156NSC 66156

Database identifiers

CAS: 585-32-0
PubChem CID: 68509
DTXSID: DTXSID20207216
UNII: F6TR9XMF2E
EC Number: 670-821-2
Nikkaji: J28.385A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 116 °C · 116°C (estimate)
Boiling point: 197 °C · 197°C
Density: 0.94 · 0.94
refractive index: 1.52 · 1.5200
Flash point: 197 °C · 197°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Methanol
form: Oil
pka: 9.36 · 9.36±0.10(Predicted)
color: Clear Colourless
Specific Gravity: 0.94 · 0.94
Water Solubility: Insoluble in water.
InChI: InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
InChIKey: KDFDOINBXBEOLZ-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)(N)(C)C
CAS DataBase Reference: 585 · 585-32-0(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H412
Precautionary statements: 264 · P264-P270-P273-P301+P310-P405-P501
Hazard Codes: T
Risk Statements: 36 · 36/37/38-52-25-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN2735
WGK Germany: 3 · WGK 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214990 · 29214990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (81.2%)

Safety data

wgk: WGK 3
ridadr: UN2735
hs_code: 29214990
risk_code: 36/37/38-52-25-34
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H412
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3
Precautionary statements: P264-P270-P273-P301+P310-P405-P501