CS-0000113
3-(3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile HCl salt
Manufacturer: ChemScene
CAS Number: 737753-45-6
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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
C₁₇H₁₇ClN₂
Molecular Weight
284.78
Synonyms
None
SMILES
N#CC1=CC=CC(C(C(C)N)CC2=CC=C(Cl)C=C2)=C1
Tpsa
49.81
Logp
3.88518
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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: C₁₇H₁₇ClN₂
Molecular Weight: 284.78
Synonyms: None
SMILES: N#CC1=CC=CC(C(C(C)N)CC2=CC=C(Cl)C=C2)=C1
Tpsa: 49.81
Logp: 3.88518
H Acceptors: 2
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:
C₁₇H₁₇ClN₂
Molecular Weight:
284.78
Synonyms:
None
SMILES:
N#CC1=CC=CC(C(C(C)N)CC2=CC=C(Cl)C=C2)=C1
Tpsa:
49.81
Logp:
3.88518
H Acceptors:
2
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: C₁₆H₁₄BrClO
Molecular Weight: 337.64
Synonyms: 2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)
SMILES: O=C(C)C(CC1=CC=C(Cl)C=C1)C2=CC(Br)=CC=C2
Tpsa: 17.07
Logp: 5.0178
H Acceptors: 1
H Donors: 0
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:
C₁₆H₁₄BrClO
Molecular Weight:
337.64
Synonyms:
2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)
SMILES:
O=C(C)C(CC1=CC=C(Cl)C=C1)C2=CC(Br)=CC=C2
Tpsa:
17.07
Logp:
5.0178
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD11035720
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O
Molecular Weight: 136.15
Synonyms: 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxaldehyde
SMILES: O=CC1=CN2C(CCC2)=N1
Tpsa: 34.89
Logp: 0.6418
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD11035720
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₂O
Molecular Weight:
136.15
Synonyms:
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxaldehyde
SMILES:
O=CC1=CN2C(CCC2)=N1
Tpsa:
34.89
Logp:
0.6418
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00076977
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₁NO₄
Molecular Weight: 279.33
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@@H](CC1=CC=CC=C1)C(OC)=O
Tpsa: 64.63
Logp: 2.2954
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00076977
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁NO₄
Molecular Weight:
279.33
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@@H](CC1=CC=CC=C1)C(OC)=O
Tpsa:
64.63
Logp:
2.2954
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4