CS-1003352
2-Pyridineacetonitrile, α-(4-chlorophenyl)-α-[2-(dimethylamino)ethyl]-, 2-butenedioate 1:1
Manufacturer: ChemScene
CAS Number: 2734078-85-2
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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
C₂₁H₂₂ClN₃O₄
Molecular Weight
415.87
Synonyms
None
SMILES
N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C.O=C(O)C=CC(=O)O
Tpsa
114.52
Logp
3.20818
H Acceptors
5
H Donors
2
Rotatable Bonds
7
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₁H₂₂ClN₃O₄
Molecular Weight: 415.87
Synonyms: None
SMILES: N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C.O=C(O)C=CC(=O)O
Tpsa: 114.52
Logp: 3.20818
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₂ClN₃O₄
Molecular Weight:
415.87
Synonyms:
None
SMILES:
N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C.O=C(O)C=CC(=O)O
Tpsa:
114.52
Logp:
3.20818
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆Br₂O₂
Molecular Weight: 281.93
Synonyms: None
SMILES: BrC=1C=C(Br)C(=CC1O)CO
Tpsa: 40.46
Logp: 2.4095
H Acceptors: 2
H Donors: 2
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:
C₇H₆Br₂O₂
Molecular Weight:
281.93
Synonyms:
None
SMILES:
BrC=1C=C(Br)C(=CC1O)CO
Tpsa:
40.46
Logp:
2.4095
H Acceptors:
2
H Donors:
2
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: C₁₅H₁₉N₃OS₃
Molecular Weight: 353.53
Synonyms: None
SMILES: O=C(N)C=1SC(=CC1)C=2N=C(SC=CCNC(C)(C)C)SC2
Tpsa: 68.01
Logp: 3.9644
H Acceptors: 6
H Donors: 2
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:
C₁₅H₁₉N₃OS₃
Molecular Weight:
353.53
Synonyms:
None
SMILES:
O=C(N)C=1SC(=CC1)C=2N=C(SC=CCNC(C)(C)C)SC2
Tpsa:
68.01
Logp:
3.9644
H Acceptors:
6
H Donors:
2
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: C₂₆H₂₅NO₃
Molecular Weight: 399.48
Synonyms: None
SMILES: O=C(NCCC1=CC=CC2=CC=C(OC)C=C21)CC3=CC=CC4=CC=C(OC)C=C43
Tpsa: 47.56
Logp: 4.9116
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₅NO₃
Molecular Weight:
399.48
Synonyms:
None
SMILES:
O=C(NCCC1=CC=CC2=CC=C(OC)C=C21)CC3=CC=CC4=CC=C(OC)C=C43
Tpsa:
47.56
Logp:
4.9116
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7