KEGG   COMPOUND: C15311
Entry
C15311                      Compound                               
Name
N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride
Formula
C7H13Cl2NO2. HCl
Exact mass
249.009
Mol weight
250.5506
Structure
Other DBs
CAS: 3374-04-7
PubChem: 17396308
ChEBI: 79813
NIKKAJI: J2.794.861H
LinkDB
KCF data

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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