COMPOUND: C15311
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Entry
C15311 Compound
Name
N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride
Formula
C7H13Cl2NO2. HCl
Exact mass
249.009
Mol weight
250.5506
Structure
Mol file
KCF file
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CAS:
3374-04-7
PubChem:
17396308
ChEBI:
79813
NIKKAJI:
J2.794.861H
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KCF data
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ATOM 13
1 N1c N 12.8800 -12.4946
2 C1b C 11.6692 -11.7962
3 C1b C 14.0908 -11.7962
4 C1c C 12.8800 -13.8976
5 C1b C 10.4526 -12.4946
6 C1b C 15.3074 -12.4946
7 X Cl 9.2417 -11.7962
8 X Cl 16.5183 -11.7962
9 C1a C 11.6536 -14.6053
10 C6a C 14.1063 -14.6054
11 O6a O 15.3326 -13.8967
12 O6a O 14.1061 -16.0296
13 X Cl 14.0700 -9.8000
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 1
8 4 9 1
9 4 10 1
10 10 11 1
11 10 12 2
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