CAS 22148-77-2 1-Methyl-3-phenylpropylamine (HCID 31160)

Names & identifiers

Preferred name: 1-Methyl-3-phenylpropylamine
IUPAC: 4-phenylbutan-2-amine
English name: 2-Amino-4-phenylbutane
Molecular formula: C10H15N
Molecular weight: 149.24

Names & synonyms

1-Methyl-3-phenylpropylamine4-phenylbutan-2-amine22374-89-63-Amino-1-phenylbutane4-Phenyl-2-aminobutane1-Phenyl-3-aminobutane1-Phenyl-3-amino-butanBenzenepropanamine, alpha-methyl-alpha-MethylbenzenepropanamineNSC-115524326655W66ZDTXSID60871334

Show more names

DL-AMPHETAMINE1-Methyl-Phenylpropylamine1-Methyl-3-BenzenepropanamineNSC 115524AURORA KA-7110(+/-)-AMPHETAMINELabetalolImpurity6sopropylbenzylamine1-Phenyl-3-butanamine4-Phenyl-2-butanamine

RefChem:100365DTXCID10819004244-942-22-Amino-4-phenylbutane22148-77-24-Phenyl-2-butylaminePropylamine, 1-methyl-3-phenyl-Benzenepropanamine, .alpha.-methyl-

Database identifiers

CAS: 22148-77-2、22374-89-6
PubChem CID: 31160
DTXSID: DTXSID60871334
UNII: 326655W66Z
EC Number: 244-805-7、244-942-2
Nikkaji: J51.151J

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 95

Physicochemical properties

Melting point: -50 °C · -50°C
Boiling point: 228 · 228-232 °C (lit.)
Density: 0.922 g/mL · 0.922 g/mL at 25 °C (lit.)
vapor pressure: 10.146 Pa · 10.146Pa at 25℃
refractive index: 20 · n20/D 1.514(lit.)
Flash point: 208 °F · 208 °F
storage temp.: 20 °C · −20°C
solubility: soluble in Chloroform, Ethyl Acetate
form: liquid
pka: 10 · pKa 10.0 (Uncertain)
Specific Gravity: 0.922 · 0.922
color: Clear
PH: 11.6 · 11.6 (10g/l, H2O, 20℃)
Water Solubility: 8.5 g/L · 8.5 g/L (20 ºC)
Sensitive: Air Sensitive
BRN: 2413110 · 2413110
InChI: 1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey: WECUIGDEWBNQJJ-UHFFFAOYSA-N
SMILES: CC(N)CCc1ccccc1
LogP: 2.12 · 2.12
CAS DataBase Reference: 22374 · 22374-89-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 326655 W66Z · 326655W66Z
NIST Chemistry Reference: Benzenepropanamine, «alpha»-methyl-(22374-89-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311-H314-H412
Precautionary statements: 270 · P270-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi,T,F
Risk Statements: 34 · 34-22-39/23/24/25-23/24/25-11
Safety Statements: 26 · 26-36/37/39-45-28A-36/37
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 2 · 2
RTECS: 3920000 · UI3920000
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214980 · 29214980
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
Toxicity: 600 mg/kg · LD orl-rat: >600 mg/kg AEPPAE 195,647,1940
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
rtecs: UI3920000
ridadr: UN 2735 8/PG 3
hs_code: 29214980
Toxicity: LD orl-rat: >600 mg/kg AEPPAE 195,647,1940
risk_code: 34-22-39/23/24/25-23/24/25-11
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: C,Xi,T,F
hazard_note: Irritant
safety_code: 26-36/37/39-45-28A-36/37
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
Hazard statements: H301+H311-H314-H412
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
Precautionary statements: P270-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338