CS-0587769
3-Isobutoxybenzonitrile
Manufacturer: ChemScene
CAS Number: 902093-99-6
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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
C₁₁H₁₃NO
Molecular Weight
175.23
Synonyms
None
SMILES
CC(C)COC1=CC=CC(=C1)C#N
Tpsa
33.02
Logp
2.59308
H Acceptors
2
H Donors
0
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+P364-P403+P233-P405-P501
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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: C₁₁H₁₃NO
Molecular Weight: 175.23
Synonyms: None
SMILES: CC(C)COC1=CC=CC(=C1)C#N
Tpsa: 33.02
Logp: 2.59308
H Acceptors: 2
H Donors: 0
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:
C₁₁H₁₃NO
Molecular Weight:
175.23
Synonyms:
None
SMILES:
CC(C)COC1=CC=CC(=C1)C#N
Tpsa:
33.02
Logp:
2.59308
H Acceptors:
2
H Donors:
0
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: C₈H₁₅NO₂S
Molecular Weight: 189.28
Synonyms: 2-Butyl-1,3-thiazolidine-4-carboxylic acid
SMILES: CCCCC1NC(CS1)C(=O)O
Tpsa: 49.33
Logp: 1.2923
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₅NO₂S
Molecular Weight:
189.28
Synonyms:
2-Butyl-1,3-thiazolidine-4-carboxylic acid
SMILES:
CCCCC1NC(CS1)C(=O)O
Tpsa:
49.33
Logp:
1.2923
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆N₂O₄
Molecular Weight: 264.28
Synonyms: 1-(3-Nitrobenzyl)-4-piperidinecarboxylic acid
SMILES: C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]
Tpsa: 83.68
Logp: 1.8914
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆N₂O₄
Molecular Weight:
264.28
Synonyms:
1-(3-Nitrobenzyl)-4-piperidinecarboxylic acid
SMILES:
C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]
Tpsa:
83.68
Logp:
1.8914
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO₂S
Molecular Weight: 239.33
Synonyms: 1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
SMILES: O=C(C1CCN(CC2=CC=C(C)S2)CC1)O
Tpsa: 40.54
Logp: 2.35312
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:
C₁₂H₁₇NO₂S
Molecular Weight:
239.33
Synonyms:
1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
SMILES:
O=C(C1CCN(CC2=CC=C(C)S2)CC1)O
Tpsa:
40.54
Logp:
2.35312
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3