CS-0260935
3-(3,4-Dihydro-2h-1,5-benzodioxepin-7-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 1018131-87-7
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Purity
95%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₄O₄
Molecular Weight
222.24
Synonyms
None
SMILES
O=C(O)CCC1=CC=C(OCCCO2)C2=C1
Tpsa
55.76
Logp
1.8651
H Acceptors
3
H Donors
1
Rotatable Bonds
3
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
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Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄O₄
Molecular Weight: 222.24
Synonyms: None
SMILES: O=C(O)CCC1=CC=C(OCCCO2)C2=C1
Tpsa: 55.76
Logp: 1.8651
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄O₄
Molecular Weight:
222.24
Synonyms:
None
SMILES:
O=C(O)CCC1=CC=C(OCCCO2)C2=C1
Tpsa:
55.76
Logp:
1.8651
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O
Molecular Weight: 164.20
Synonyms: N-2-(4-AMINOPHENYL)ETHYL ACETAMIDE
SMILES: CC(NCC1=CC=C(N)C=C1)=O
Tpsa: 55.12
Logp: 0.9049
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₂O
Molecular Weight:
164.20
Synonyms:
N-2-(4-AMINOPHENYL)ETHYL ACETAMIDE
SMILES:
CC(NCC1=CC=C(N)C=C1)=O
Tpsa:
55.12
Logp:
0.9049
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₈FNO₃
Molecular Weight: 221.18
Synonyms: None
SMILES: O=C(O)CC1=COC(C2=CC=C(F)C=C2)=N1
Tpsa: 63.33
Logp: 2.1078
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈FNO₃
Molecular Weight:
221.18
Synonyms:
None
SMILES:
O=C(O)CC1=COC(C2=CC=C(F)C=C2)=N1
Tpsa:
63.33
Logp:
2.1078
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆N₄S
Molecular Weight: 236.34
Synonyms: None
SMILES: S=C(C1=C(C)C(C)=NN=C1N2CCCC2)N
Tpsa: 55.04
Logp: 1.32784
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆N₄S
Molecular Weight:
236.34
Synonyms:
None
SMILES:
S=C(C1=C(C)C(C)=NN=C1N2CCCC2)N
Tpsa:
55.04
Logp:
1.32784
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2