CS-1136326

3-Cyclopropyl-4-(prop-2-yn-1-ylamino)benzoic acid

Manufacturer: ChemScene

CAS Number: 3036279-81-6

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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

C₁₃H₁₃NO₂

Molecular Weight

215.25

Synonyms

None

SMILES

O=C(O)C1=CC=C(NCC#C)C(C2CC2)=C1

Tpsa

49.33

Logp

2.3073

H Acceptors

2

H Donors

2

Rotatable Bonds

4

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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

Compare Similar Items

Show Difference

Img

ChemScene

CS-1136326

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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:
C₁₃H₁₃NO₂

Molecular Weight:
215.25

Synonyms:
None

SMILES:
O=C(O)C1=CC=C(NCC#C)C(C2CC2)=C1

Tpsa:
49.33

Logp:
2.3073

H Acceptors:
2

H Donors:
2

Rotatable Bonds:
4

Img

ChemScene

CS-1136327

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₄₅H₄₂O₄P₂

Molecular Weight:
708.76

Synonyms:
None

SMILES:
COC(C=C1)=CC=C1P(C2=CC=CC3=C2C4(CC3)C5=C(CC4)C=CC=C5P(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)C(C=C8)=CC=C8OC

Tpsa:
36.92

Logp:
7.4159

H Acceptors:
4

H Donors:
0

Rotatable Bonds:
10

Img

ChemScene

CS-1136328

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₄₅H₄₂O₄P₂

Molecular Weight:
708.76

Synonyms:
None

SMILES:
COC(C=C1)=CC=C1P(C2=CC=CC3=C2C4(CC3)C5=C(CC4)C=CC=C5P(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)C(C=C8)=CC=C8OC

Tpsa:
36.92

Logp:
7.4159

H Acceptors:
4

H Donors:
0

Rotatable Bonds:
10

Img

ChemScene

CS-1136329

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₁₃H₁₆N₂O

Molecular Weight:
216.28

Synonyms:
None

SMILES:
O=C(NC)C1=CC=C(NCC#C)C(CC)=C1

Tpsa:
41.13

Logp:
1.6537

H Acceptors:
2

H Donors:
2

Rotatable Bonds:
4