CS-0633957
(S)-4-(1-Aminoethyl)-3-(trifluoromethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1388123-31-6
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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
C₁₀H₉F₃N₂
Molecular Weight
214.19
Synonyms
None
SMILES
N#CC1=CC=C([C@@H](N)C)C(C(F)(F)F)=C1
Tpsa
49.81
Logp
2.59678
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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: C₁₀H₉F₃N₂
Molecular Weight: 214.19
Synonyms: None
SMILES: N#CC1=CC=C([C@@H](N)C)C(C(F)(F)F)=C1
Tpsa: 49.81
Logp: 2.59678
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉F₃N₂
Molecular Weight:
214.19
Synonyms:
None
SMILES:
N#CC1=CC=C([C@@H](N)C)C(C(F)(F)F)=C1
Tpsa:
49.81
Logp:
2.59678
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18712597
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₀BNO₂
Molecular Weight: 233.11
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(C)C(C)=NC=C2)O1
Tpsa: 31.35
Logp: 1.99764
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18712597
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀BNO₂
Molecular Weight:
233.11
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(C)C(C)=NC=C2)O1
Tpsa:
31.35
Logp:
1.99764
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18452164
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₆NO₆P
Molecular Weight: 253.19
Synonyms: None
SMILES: O=C(OCC)C(NC(C)=O)P(OC)(OC)=O
Tpsa: 90.93
Logp: 0.4976
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD18452164
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₆NO₆P
Molecular Weight:
253.19
Synonyms:
None
SMILES:
O=C(OCC)C(NC(C)=O)P(OC)(OC)=O
Tpsa:
90.93
Logp:
0.4976
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇ClN₂O₂
Molecular Weight: 186.60
Synonyms: None
SMILES: O=C(C1=C(NC)C=C(Cl)N=C1)O
Tpsa: 62.22
Logp: 1.4749
H Acceptors: 3
H Donors: 2
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:
C₇H₇ClN₂O₂
Molecular Weight:
186.60
Synonyms:
None
SMILES:
O=C(C1=C(NC)C=C(Cl)N=C1)O
Tpsa:
62.22
Logp:
1.4749
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2