Morpholino(phenyl)acetonitrile

HCID 85812
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Basic information

CAS
15190-10-0
Standard SMILES
N#CC(c1ccccc1)N1CCOCC1
InChIKey
MWZPYQLYZXTCLZ-UHFFFAOYSA-N
Molecular formula
C12H14N2O
Average molar mass
202.25 g/mol
Monoisotopic mass
202.11061307

Names & identifiers

Preferred name
Morpholino(phenyl)acetonitrile
IUPAC
2-morpholin-4-yl-2-phenylacetonitrile
English name
alpha-(4-Morpholino)phenylacetonitrile
Molecular formula
C12H14N2O
Molecular weight
202.25

Names & synonyms

Morpholino(phenyl)acetonitrileEINECS 239-242-9DTXSID201036004NSC 75643RefChem:819529DTXCID301520234239-242-915190-10-02-Morpholino-2-phenylacetonitrilemorpholin-4-yl(phenyl)acetonitrile2-(morpholin-4-yl)-2-phenylacetonitrileALPHA-(4-MORPHOLINO)PHENYLACETONITRILE
Show more names
LABOTEST-BB LT00454536Phenylmorpholinoacetonitrileα-Morpholinobenzeneacetonitrileα-Phenylmorpholine-4-acetonitrileα-Phenyl-4-morpholineacetonitrileà-(4-morpholino)phenylacetonitrileA-(4-MORPHOLINO)PHENYLACETONITRILE
2-morpholin-4-yl-2-phenylacetonitrileMFCD000146194-Morpholineacetonitrile, .alpha.-phenyl-Morpholin-4-yl-phenyl-acetonitrile2-(morpholin-4-yl)-2-phenylacetonitrile hydrochloride2-morpholin-4-yl-2-phenylethanenitrileNSC75643Maybridge1_000080

Database identifiers

CAS
15190-10-0
PubChem CID
85812
DTXSID
DTXSID201036004
ChEMBL
CHEMBL1896078
EC Number
239-242-9
Nikkaji
J146.957F

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
36.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

Solubility20.7 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
69 °C · 69 °C
Boiling point
306.1 · 306.1±37.0 °C(Predicted)
Density
1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
1.81 · 1.81±0.10(Predicted)
BRN
181704 · 181704

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr
3276
hs_code
2934999090
risk_code
20/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS06
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers17 total

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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