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CS-0132441

Methyl 2-(4-(aminomethyl)-2-(cyanomethyl)phenyl)acetate

Manufacturer: ChemScene

CAS Number: None

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₂H₁₄N₂O₂

Molecular Weight

218.25

Synonyms

None

SMILES

NCC1=CC=C(CC(OC)=O)C(CC#N)=C1

Tpsa

76.11

Logp

0.92688

H Acceptors

4

H Donors

1

Rotatable Bonds

4

Other Options

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SAFETY INFORMATION

Pictograms

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

Precautionary Statements

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ChemScene

--

Purity:

98%

MDL No:

None

Storage:

Sealed in dry,2-8℃

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₁₂H₁₄N₂O₂

Molecular Weight:

218.25

Synonyms:

None

SMILES:

NCC1=CC=C(CC(OC)=O)C(CC#N)=C1

Tpsa:

76.11

Logp:

0.92688

H Acceptors:

4

H Donors:

1

Rotatable Bonds:

4

ChemScene

--

Purity:

98%

MDL No:

None

Storage:

Store at room temperature

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₁₄H₁₅BrO₃

Molecular Weight:

311.17

Synonyms:

(1R,2R)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic Acid

SMILES:

O=C([C@H]1[C@H](C(C2=CC=C(Br)C=C2)=O)CCCC1)O

Tpsa:

54.37

Logp:

3.5228

H Acceptors:

2

H Donors:

1

Rotatable Bonds:

3

ChemScene

--

Purity:

98%

MDL No:

MFCD00009346

Storage:

4°C

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₂₁H₄₄

Molecular Weight:

296.57

Synonyms:

None

SMILES:

CCCCCCCCCCCCCCCCCCCCC

Tpsa:

0

Logp:

8.4381

H Acceptors:

0

H Donors:

0

Rotatable Bonds:

18

ChemScene

--

Purity:

97%

MDL No:

MFCD00038880

Storage:

RT, protect from light

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₅H₁₀ClNO₄

Molecular Weight:

183.59

Synonyms:

dimethyl aminopropanedioate hydrochloride

SMILES:

O=C(OC)C(N)C(OC)=O.[H]Cl

Tpsa:

78.62

Logp:

-0.9185

H Acceptors:

5

H Donors:

1

Rotatable Bonds:

2