CS-1001369
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, compd. with 2-propanol, hydrochloride 1:1:1
Manufacturer: ChemScene
CAS Number: 1423073-50-0
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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
C₃₀H₃₈ClN₇O₄
Molecular Weight
596.12
Synonyms
None
SMILES
Cl.O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4.OC(C)C
Tpsa
159.45
Logp
4.27337
H Acceptors
9
H Donors
4
Rotatable Bonds
10
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: C₃₀H₃₈ClN₇O₄
Molecular Weight: 596.12
Synonyms: None
SMILES: Cl.O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4.OC(C)C
Tpsa: 159.45
Logp: 4.27337
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₈ClN₇O₄
Molecular Weight:
596.12
Synonyms:
None
SMILES:
Cl.O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4.OC(C)C
Tpsa:
159.45
Logp:
4.27337
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BrNO₄
Molecular Weight: 288.09
Synonyms: None
SMILES: O=C(OCC)C1=CC=CC(=C1CBr)N(=O)=O
Tpsa: 69.44
Logp: 2.6664
H Acceptors: 4
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:
C₁₀H₁₀BrNO₄
Molecular Weight:
288.09
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=CC(=C1CBr)N(=O)=O
Tpsa:
69.44
Logp:
2.6664
H Acceptors:
4
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: C₁₃H₁₂O₄
Molecular Weight: 232.23
Synonyms: None
SMILES: OC1=CC=C(C=C1O)CC2=CC=C(O)C(O)=C2
Tpsa: 80.92
Logp: 2.0998
H Acceptors: 4
H Donors: 4
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:
C₁₃H₁₂O₄
Molecular Weight:
232.23
Synonyms:
None
SMILES:
OC1=CC=C(C=C1O)CC2=CC=C(O)C(O)=C2
Tpsa:
80.92
Logp:
2.0998
H Acceptors:
4
H Donors:
4
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: C₁₉H₃₀N₂O₅S
Molecular Weight: 398.52
Synonyms: None
SMILES: C([C@H](NS(C)(=O)=O)C(O)=O)C1=CC=C(OCCCCC2CCNCC2)C=C1
Tpsa: 104.73
Logp: 1.7802
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₀N₂O₅S
Molecular Weight:
398.52
Synonyms:
None
SMILES:
C([C@H](NS(C)(=O)=O)C(O)=O)C1=CC=C(OCCCCC2CCNCC2)C=C1
Tpsa:
104.73
Logp:
1.7802
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11