CS-1004162
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[2-[(phenylmethyl)amino]ethyl] ester, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 54527-91-2
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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
C₂₅H₂₈ClN₃O₆
Molecular Weight
501.96
Synonyms
None
SMILES
Cl.O=C(OC)C1=C(NC(=C(C(=O)OCCNCC=2C=CC=CC2)C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa
119.8
Logp
3.7574
H Acceptors
8
H Donors
2
Rotatable Bonds
9
Related Products
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: C₂₅H₂₈ClN₃O₆
Molecular Weight: 501.96
Synonyms: None
SMILES: Cl.O=C(OC)C1=C(NC(=C(C(=O)OCCNCC=2C=CC=CC2)C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa: 119.8
Logp: 3.7574
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈ClN₃O₆
Molecular Weight:
501.96
Synonyms:
None
SMILES:
Cl.O=C(OC)C1=C(NC(=C(C(=O)OCCNCC=2C=CC=CC2)C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa:
119.8
Logp:
3.7574
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆N₂O
Molecular Weight: 168.24
Synonyms: None
SMILES: O=C(N1CCN(C)CC1)C2CC2
Tpsa: 23.55
Logp: 0.1704
H Acceptors: 2
H Donors: 0
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:
C₉H₁₆N₂O
Molecular Weight:
168.24
Synonyms:
None
SMILES:
O=C(N1CCN(C)CC1)C2CC2
Tpsa:
23.55
Logp:
0.1704
H Acceptors:
2
H Donors:
0
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: CH₇N₃S₂
Molecular Weight: 125.22
Synonyms: None
SMILES: S=C(S)NN.N
Tpsa: 73.05
Logp: -0.1736
H Acceptors: 3
H Donors: 4
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
CH₇N₃S₂
Molecular Weight:
125.22
Synonyms:
None
SMILES:
S=C(S)NN.N
Tpsa:
73.05
Logp:
-0.1736
H Acceptors:
3
H Donors:
4
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀N₂O₃S
Molecular Weight: 262.28
Synonyms: None
SMILES: O=N(=O)C1=CC=C(C=C1)S(=O)C2=CC=C(N)C=C2
Tpsa: 86.23
Logp: 2.3437
H Acceptors: 4
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:
C₁₂H₁₀N₂O₃S
Molecular Weight:
262.28
Synonyms:
None
SMILES:
O=N(=O)C1=CC=C(C=C1)S(=O)C2=CC=C(N)C=C2
Tpsa:
86.23
Logp:
2.3437
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3