Formamide, N-(2-phenylethyl)-

HCID 140995
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Basic information

CAS
23069-99-0
Standard SMILES
O=CNCCc1ccccc1
InChIKey
NOOOMJZHMKSKBF-UHFFFAOYSA-N
Molecular formula
C9H11NO
Average molar mass
149.19 g/mol
Monoisotopic mass
149.08406397

Names & identifiers

Preferred name
Formamide, N-(2-phenylethyl)-
IUPAC
N-(2-phenylethyl)formamide
English name
Formamide, N-(2-phenylethyl)-
Molecular formula
C9H11NO
Molecular weight
149.19

Names & synonyms

23069-99-0Formamide, N-(2-phenylethyl)-N-Formylphenylethylamine2-Phenylethylformamide(2-Phenethyl)formamideNSC 18966Formamide, N-phenethyl-,N-(2-Phenethyl)formamideDTXSID70177637RefChem:141211DTXCID30100128NOOOMJZHMKSKBF-UHFFFAOYSA-N
Show more names
N-FormylphenethylamineN-benzenethylcarboxamideN-formyl-1-phenethylamineN-(β-Phenylethyl)formamide
N-phenethylformamideN-(2-Phenylethyl)formamideN-PHENETHYL-FORMAMIDE(2-Phenylethyl)formamidephenethylformamideMFCD00962346phenylethylformamideN-formyl-2-phenylethanamine

Database identifiers

CAS
23069-99-0
PubChem CID
140995
DTXSID
DTXSID70177637
EC Number
663-749-8
Nikkaji
J28.433E

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1487.2

Physicochemical properties

Boiling point
180 · 180-181 °C(Press: 14 Torr)
Density
1.049 g/mL · 1.049 g/mL at 25 °C
refractive index
20 · n20/D1.546
Flash point
110 ℃ · >110℃
storage temp.
-20 °C · -20°C
pka
16.04 · 16.04±0.23(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

wgk
3
ridadr
2810
risk_code
22-37/38-41-43
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn

Chemistry & industry

Applications

UsesReactant for:Preparation of allenamides by alkylation with propargyl bromide and isomerizationUgi 3CC reaction

Upstream & downstream products

Suppliers23 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806

Related reactions

14 records
New reaction record

Compound notes

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