CS-0347229

Methyl 3-(butylamino)-4-methylbenzoate

Manufacturer: ChemScene

CAS Number: 1152619-90-3

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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

C₁₃H₁₉NO₂

Molecular Weight

221.30

Synonyms

Benzoic acid, 3-(butylamino)-4-methyl-, methyl ester

SMILES

O=C(OC)C1=CC=C(C)C(NCCCC)=C1

Tpsa

38.33

Logp

2.99362

H Acceptors

3

H Donors

1

Rotatable Bonds

5

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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ChemScene

CS-0347229

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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:
C₁₃H₁₉NO₂

Molecular Weight:
221.30

Synonyms:
Benzoic acid, 3-(butylamino)-4-methyl-, methyl ester

SMILES:
O=C(OC)C1=CC=C(C)C(NCCCC)=C1

Tpsa:
38.33

Logp:
2.99362

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
5

Img

ChemScene

CS-0347231

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Purity:
97%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₁₀O₄

Molecular Weight:
206.19

Synonyms:
1-methyl 4-(2-carboxyvinyl)benzoate

SMILES:
O=C(OC)C1=CC=C(C=CC(O)=O)C=C1

Tpsa:
63.6

Logp:
1.571

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0347232

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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:
C₁₁H₁₃NO₂

Molecular Weight:
191.23

Synonyms:
Benzoic acid, 4-(3-amino-1-propenyl)-, methyl ester, (E)- (9CI)

SMILES:
O=C(OC)C1=CC=C(C=CCN)C=C1

Tpsa:
52.32

Logp:
1.4451

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0347233

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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:
C₁₁H₁₂O₃

Molecular Weight:
192.21

Synonyms:
Benzoic acid, 4-(3-hydroxy-1-propen-1-yl)-, methyl ester

SMILES:
O=C(OC)C1=CC=C(C=CCO)C=C1

Tpsa:
46.53

Logp:
1.4787

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3